(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C71H89N15O6S2 — CID 160972729

About (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 160972729) has the molecular formula C71H89N15O6S2 and a molecular weight of 1312.73 g/mol. Its IUPAC name is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 160972729
• Molecular Formula: C71H89N15O6S2
• Molecular Weight: 1312.73 g/mol
• Exact Mass: 1311.66
• IUPAC Name: (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: C[C@@H]1Cc2ncnc(C3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(C(=O)C(C)(C)O)CC3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)C(C)(C)C3)c2CN1c1ccnc2c1C=CC2
• InChI: InChI=1S/C25H31N5O2.C24H31N5O2S.C22H27N5O2S/c1-16-13-21-19(14-30(16)22-7-10-26-20-6-4-5-18(20)22)23(28-15-27-21)17-8-11-29(12-9-17)24(31)25(2,3)32;1-16-12-21-19(14-28(16)22-8-10-25-20-7-5-6-18(20)22)23(27-15-26-21)17-9-11-29(32(4,30)31)24(2,3)13-17;1-15-11-20-18(13-27(15)21-8-9-23-19-7-3-6-17(19)21)22(25-14-24-20)16-5-4-10-26(12-16)30(2,28)29/h4-5,7,10,15-17,32H,6,8-9,11-14H2,1-3H3;5-6,8,10,15-17H,7,9,11-14H2,1-4H3;3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3/t16-;16-,17?;15-,16?/m111/s1
• InChIKey: SYLVFUYUQSAWEO-SMJIKOQLSA-N
• XLogP: 8.71
• TPSA: 241.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1312.73
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 160972729) is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C[C@@H]1Cc2ncnc(C3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(C(=O)C(C)(C)O)CC3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)C(C)(C)C3)c2CN1c1ccnc2c1C=CC2.

What is the InChIKey of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is SYLVFUYUQSAWEO-SMJIKOQLSA-N. The full InChI is InChI=1S/C25H31N5O2.C24H31N5O2S.C22H27N5O2S/c1-16-13-21-19(14-30(16)22-7-10-26-20-6-4-5-18(20)22)23(28-15-27-21)17-8-11-29(12-9-17)24(31)25(2,3)32;1-16-12-21-19(14-28(16)22-8-10-25-20-7-5-6-18(20)22)23(27-15-26-21)17-9-11-29(32(4,30)31)24(2,3)13-17;1-15-11-20-18(13-27(15)21-8-9-23-19-7-3-6-17(19)21)22(25-14-24-20)16-5-4-10-26(12-16)30(2,28)29/h4-5,7,10,15-17,32H,6,8-9,11-14H2,1-3H3;5-6,8,10,15-17H,7,9,11-14H2,1-4H3;3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3/t16-;16-,17?;15-,16?/m111/s1.

What are the key properties of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1312.73 g/mol, XLogP of 8.71, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-[4-[(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 160972729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).