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

C110H136N40O6 — CID 163711762

About 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

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 (PubChem CID 163711762) has the molecular formula C110H136N40O6 and a molecular weight of 2114.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163711762
• Molecular Formula: C110H136N40O6
• Molecular Weight: 2114.57 g/mol
• Exact Mass: 2113.16
• IUPAC Name: 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
• SMILES: CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCO[C@@H](C)C5)c4)c3c2)[C@H](C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCO[C@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C.CC[C@@H]1CCCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@H]5C)cc34)ccn2)C1.CC[C@H]1CCCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5(C)C)cc34)ccn2)C1
• InChI: InChI=1S/C28H34N10O.C27H32N10O.C26H30N10O2.C25H28N10O2.2C2H6/c1-6-18-8-7-13-37(16-18)23-14-19(11-12-29-23)25-21-15-20(9-10-22(21)31-32-25)30-26(39)24-17(2)36(5)27-33-34-35-38(27)28(24,3)4;1-5-18-7-6-12-36(15-18)23-13-19(10-11-28-23)25-21-14-20(8-9-22(21)30-31-25)29-26(38)24-16(2)35(4)27-32-33-34-37(27)17(24)3;1-15-14-35(10-11-38-15)21-12-17(8-9-27-21)23-19-13-18(6-7-20(19)29-30-23)28-24(37)22-16(2)34(5)25-31-32-33-36(25)26(22,3)4;1-14-13-34(9-10-37-14)21-11-17(7-8-26-21)23-19-12-18(5-6-20(19)28-29-23)27-24(36)22-15(2)33(4)25-30-31-32-35(25)16(22)3;2*1-2/h9-12,14-15,18H,6-8,13,16H2,1-5H3,(H,30,39)(H,31,32);8-11,13-14,17-18H,5-7,12,15H2,1-4H3,(H,29,38)(H,30,31);6-9,12-13,15H,10-11,14H2,1-5H3,(H,28,37)(H,29,30);5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,27,36)(H,28,29);2*1-2H3/t18-;17-,18+;15-;14-,16-;;/m0010../s1
• InChIKey: KJWLDWMKUKMMGC-ALKWGEQRSA-N
• XLogP: 16.24
• TPSA: 501.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.57
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCO[C@@H](C)C5)c4)c3c2)[C@H](C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCO[C@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C.CC[C@@H]1CCCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@H]5C)cc34)ccn2)C1.CC[C@H]1CCCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5(C)C)cc34)ccn2)C1.

What is the InChIKey of 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?

The InChIKey is KJWLDWMKUKMMGC-ALKWGEQRSA-N. The full InChI is InChI=1S/C28H34N10O.C27H32N10O.C26H30N10O2.C25H28N10O2.2C2H6/c1-6-18-8-7-13-37(16-18)23-14-19(11-12-29-23)25-21-15-20(9-10-22(21)31-32-25)30-26(39)24-17(2)36(5)27-33-34-35-38(27)28(24,3)4;1-5-18-7-6-12-36(15-18)23-13-19(10-11-28-23)25-21-14-20(8-9-22(21)30-31-25)29-26(38)24-16(2)35(4)27-32-33-34-37(27)17(24)3;1-15-14-35(10-11-38-15)21-12-17(8-9-27-21)23-19-13-18(6-7-20(19)29-30-23)28-24(37)22-16(2)34(5)25-31-32-33-36(25)26(22,3)4;1-14-13-34(9-10-37-14)21-11-17(7-8-26-21)23-19-12-18(5-6-20(19)28-29-23)27-24(36)22-15(2)33(4)25-30-31-32-35(25)16(22)3;2*1-2/h9-12,14-15,18H,6-8,13,16H2,1-5H3,(H,30,39)(H,31,32);8-11,13-14,17-18H,5-7,12,15H2,1-4H3,(H,29,38)(H,30,31);6-9,12-13,15H,10-11,14H2,1-5H3,(H,28,37)(H,29,30);5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,27,36)(H,28,29);2*1-2H3/t18-;17-,18+;15-;14-,16-;;/m0010../s1.

What are the key properties of 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?

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 has a molecular weight of 2114.57 g/mol, XLogP of 16.24, 18 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 163711762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).