ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C125H156N60O5 — CID 163936082

IUPACethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC.CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)[C@H](C)n2nnnc2N1C
InChIInChI=1S/C25H30N12O.2C24H28N12O.2C23H26N12O.3C2H6/c1-15-21(25(2,3)37-24(35(15)5)31-32-33-37)23(38)28-16-6-7-18-17(12-16)22(30-29-18)19-13-20(27-14-26-19)36-10-8-34(4)9-11-36;1-14-20(24(2,3)36-23(34(14)4)31-32-33-36)22(37)28-15-5-6-17-16(11-15)21(30-29-17)18-12-19(27-13-26-18)35-9-7-25-8-10-35;1-14-21(15(2)36-24(34(14)4)30-31-32-36)23(37)27-16-5-6-18-17(11-16)22(29-28-18)19-12-20(26-13-25-19)35-9-7-33(3)8-10-35;2*1-13-20(14(2)35-23(33(13)3)30-31-32-35)22(36)27-15-4-5-17-16(10-15)21(29-28-17)18-11-19(26-12-25-18)34-8-6-24-7-9-34;3*1-2/h6-7,12-14H,8-11H2,1-5H3,(H,28,38)(H,29,30);5-6,11-13,25H,7-10H2,1-4H3,(H,28,37)(H,29,30);5-6,11-13,15H,7-10H2,1-4H3,(H,27,37)(H,28,29);2*4-5,10-12,14,24H,6-9H2,1-3H3,(H,27,36)(H,28,29);3*1-2H3/t;;;14-;;;;/m...0..../s1
InChIKeyRMXPCLZYABTIDA-NOYPJDSHSA-N
MW2579.04 g/mol
LogP10.81
Rot. Bonds20

About ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 163936082) has the molecular formula C125H156N60O5 and a molecular weight of 2579.04 g/mol. Its IUPAC name is ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Nameethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID163936082
Molecular FormulaC125H156N60O5
Molecular Weight2579.04 g/mol
Exact Mass2577.38
IUPAC Nameethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC.CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)[C@H](C)n2nnnc2N1C
InChIInChI=1S/C25H30N12O.2C24H28N12O.2C23H26N12O.3C2H6/c1-15-21(25(2,3)37-24(35(15)5)31-32-33-37)23(38)28-16-6-7-18-17(12-16)22(30-29-18)19-13-20(27-14-26-19)36-10-8-34(4)9-11-36;1-14-20(24(2,3)36-23(34(14)4)31-32-33-36)22(37)28-15-5-6-17-16(11-15)21(30-29-17)18-12-19(27-13-26-18)35-9-7-25-8-10-35;1-14-21(15(2)36-24(34(14)4)30-31-32-36)23(37)27-16-5-6-18-17(11-16)22(29-28-18)19-12-20(26-13-25-19)35-9-7-33(3)8-10-35;2*1-13-20(14(2)35-23(33(13)3)30-31-32-35)22(36)27-15-4-5-17-16(10-15)21(29-28-17)18-11-19(26-12-25-18)34-8-6-24-7-9-34;3*1-2/h6-7,12-14H,8-11H2,1-5H3,(H,28,38)(H,29,30);5-6,11-13,25H,7-10H2,1-4H3,(H,28,37)(H,29,30);5-6,11-13,15H,7-10H2,1-4H3,(H,27,37)(H,28,29);2*4-5,10-12,14,24H,6-9H2,1-3H3,(H,27,36)(H,28,29);3*1-2H3/t;;;14-;;;;/m...0..../s1
InChIKeyRMXPCLZYABTIDA-NOYPJDSHSA-N
XLogP10.81
TPSA710.77 Ų
H-Bond Donors13
H-Bond Acceptors55
Rotatable Bonds20
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.04
LogP ≤ 510.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1055

Analyze ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866544
(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866728
4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866762
(7R)-N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163723207
4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163867583
4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866685
ethane;N-[3-[2-[(3S)-3-ethylpiperidin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-N-[3-[2-[(3R)-3-ethylpiperidin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-[2-[(2R)-2-methylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-[2-[(2S)-2-methylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163711762
N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866535
(7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866845
4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163957219
4,5-dimethyl-N-[3-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[6-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3R)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163817254
N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166768327

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 163936082) is ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC.CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)CC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCNCC5)ncn4)c3c2)[C@H](C)n2nnnc2N1C.
What is the InChIKey of ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RMXPCLZYABTIDA-NOYPJDSHSA-N. The full InChI is InChI=1S/C25H30N12O.2C24H28N12O.2C23H26N12O.3C2H6/c1-15-21(25(2,3)37-24(35(15)5)31-32-33-37)23(38)28-16-6-7-18-17(12-16)22(30-29-18)19-13-20(27-14-26-19)36-10-8-34(4)9-11-36;1-14-20(24(2,3)36-23(34(14)4)31-32-33-36)22(37)28-15-5-6-17-16(11-15)21(30-29-17)18-12-19(27-13-26-18)35-9-7-25-8-10-35;1-14-21(15(2)36-24(34(14)4)30-31-32-36)23(37)27-16-5-6-18-17(11-16)22(29-28-18)19-12-20(26-13-25-19)35-9-7-33(3)8-10-35;2*1-13-20(14(2)35-23(33(13)3)30-31-32-35)22(36)27-15-4-5-17-16(10-15)21(29-28-17)18-11-19(26-12-25-18)34-8-6-24-7-9-34;3*1-2/h6-7,12-14H,8-11H2,1-5H3,(H,28,38)(H,29,30);5-6,11-13,25H,7-10H2,1-4H3,(H,28,37)(H,29,30);5-6,11-13,15H,7-10H2,1-4H3,(H,27,37)(H,28,29);2*4-5,10-12,14,24H,6-9H2,1-3H3,(H,27,36)(H,28,29);3*1-2H3/t;;;14-;;;;/m...0..../s1.
What are the key properties of ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 2579.04 g/mol, XLogP of 10.81, 20 rotatable bonds, 13 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,7,7-tetramethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7,7-tetramethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;(7S)-4,5,7-trimethyl-N-[3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163936082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).