(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide

C26H32N10O2 — CID 157158676

IUPAC(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide
SMILES[H]/N=N/N1/C(=N/[H])N(C)C(C)=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5C[C@H](C)O[C@@H](C)C5)c4)c3c2)[C@H]1C
InChIInChI=1S/C26H32N10O2/c1-14-12-35(13-15(2)38-14)22-10-18(8-9-29-22)24-20-11-19(6-7-21(20)31-32-24)30-25(37)23-16(3)34(5)26(27)36(33-28)17(23)4/h6-11,14-15,17,27-28H,12-13H2,1-5H3,(H,30,37)(H,31,32)/b27-26+,33-28+/t14-,15-,17+/m0/s1
InChIKeyAMCPQGDUMBWADF-PADHCVKXSA-N
MW516.61 g/mol
LogP3.97
Rot. Bonds5

About (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide

(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide (PubChem CID 157158676) has the molecular formula C26H32N10O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide
PubChem CID157158676
Molecular FormulaC26H32N10O2
Molecular Weight516.61 g/mol
Exact Mass516.27
IUPAC Name(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide
SMILES[H]/N=N/N1/C(=N/[H])N(C)C(C)=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5C[C@H](C)O[C@@H](C)C5)c4)c3c2)[C@H]1C
InChIInChI=1S/C26H32N10O2/c1-14-12-35(13-15(2)38-14)22-10-18(8-9-29-22)24-20-11-19(6-7-21(20)31-32-24)30-25(37)23-16(3)34(5)26(27)36(33-28)17(23)4/h6-11,14-15,17,27-28H,12-13H2,1-5H3,(H,30,37)(H,31,32)/b27-26+,33-28+/t14-,15-,17+/m0/s1
InChIKeyAMCPQGDUMBWADF-PADHCVKXSA-N
XLogP3.97
TPSA149.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.61
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

(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
3-amino-N-[4-amino-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboximidoyl]phenyl]-2-imino-1,6-dimethyl-4H-pyrimidine-5-carboxamide
CID 153364822
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-[(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-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
4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866685
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
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
4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163429025
(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide
CID 153364723
tert-butyl N-[3-[2-[(3S,5R)-3,5-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]carbamate
CID 156866833
(7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170452152

Frequently Asked Questions

What is the IUPAC name of (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide (CID 157158676) is (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide is [H]/N=N/N1/C(=N/[H])N(C)C(C)=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5C[C@H](C)O[C@@H](C)C5)c4)c3c2)[C@H]1C.
What is the InChIKey of (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide?
The InChIKey is AMCPQGDUMBWADF-PADHCVKXSA-N. The full InChI is InChI=1S/C26H32N10O2/c1-14-12-35(13-15(2)38-14)22-10-18(8-9-29-22)24-20-11-19(6-7-21(20)31-32-24)30-25(37)23-16(3)34(5)26(27)36(33-28)17(23)4/h6-11,14-15,17,27-28H,12-13H2,1-5H3,(H,30,37)(H,31,32)/b27-26+,33-28+/t14-,15-,17+/m0/s1.
What are the key properties of (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide?
(4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide has a molecular weight of 516.61 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-diazenyl-N-[3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-imino-1,4,6-trimethyl-4H-pyrimidine-5-carboxamide is sourced from PubChem (CID 157158676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).