(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C72H88F3N15O7S3 — CID 158113288

About (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 158113288) has the molecular formula C72H88F3N15O7S3 and a molecular weight of 1428.79 g/mol. Its IUPAC name is (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 158113288
• Molecular Formula: C72H88F3N15O7S3
• Molecular Weight: 1428.79 g/mol
• Exact Mass: 1427.61
• IUPAC Name: (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC1=Cc2c(N3Cc4c(ncnc4C4CCN(S(C)(=O)=O)CC4)C[C@H]3C)ccnc2C1.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2
• InChI: InChI=1S/C25H31N5O2S.C24H28F3N5O3S.C23H29N5O2S/c1-16-12-23-20(25(27-15-26-23)18-8-10-29(11-9-18)33(2,31)32)14-30(16)24-13-22(17-6-7-17)28-21-5-3-4-19(21)24;1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21;1-15-10-18-20(11-15)24-7-4-22(18)28-13-19-21(12-16(28)2)25-14-26-23(19)17-5-8-27(9-6-17)31(3,29)30/h3-4,13,15-18H,5-12,14H2,1-2H3;3-4,11,14-16H,5-10,12-13H2,1-2H3;4,7,10,14,16-17H,5-6,8-9,11-13H2,1-3H3/t16-;15-;16-/m111/s1
• InChIKey: FQRSHVJGAYTKNF-TZRZEAAYSA-N
• XLogP: 9.80
• TPSA: 247.10 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.79
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 158113288) is (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1=Cc2c(N3Cc4c(ncnc4C4CCN(S(C)(=O)=O)CC4)C[C@H]3C)ccnc2C1.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(C2CC2)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2.

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

The InChIKey is FQRSHVJGAYTKNF-TZRZEAAYSA-N. The full InChI is InChI=1S/C25H31N5O2S.C24H28F3N5O3S.C23H29N5O2S/c1-16-12-23-20(25(27-15-26-23)18-8-10-29(11-9-18)33(2,31)32)14-30(16)24-13-22(17-6-7-17)28-21-5-3-4-19(21)24;1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21;1-15-10-18-20(11-15)24-7-4-22(18)28-13-19-21(12-16(28)2)25-14-26-23(19)17-5-8-27(9-6-17)31(3,29)30/h3-4,13,15-18H,5-12,14H2,1-2H3;3-4,11,14-16H,5-10,12-13H2,1-2H3;4,7,10,14,16-17H,5-6,8-9,11-13H2,1-3H3/t16-;15-;16-/m111/s1.

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

(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1428.79 g/mol, XLogP of 9.80, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 158113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).