6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C70H88FN15O8S3 — CID 157390552

About 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 157390552) has the molecular formula C70H88FN15O8S3 and a molecular weight of 1382.77 g/mol. Its IUPAC name is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 157390552
• Molecular Formula: C70H88FN15O8S3
• Molecular Weight: 1382.77 g/mol
• Exact Mass: 1381.61
• IUPAC Name: 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.COc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1
• InChI: InChI=1S/C25H33N5O3S.C23H29N5O3S.C22H26FN5O2S/c1-16(2)33-24-13-23(19-6-5-7-21(19)28-24)30-14-20-22(12-17(30)3)26-15-27-25(20)18-8-10-29(11-9-18)34(4,31)32;1-15-11-20-18(13-28(15)21-12-22(31-2)26-19-6-4-5-17(19)21)23(25-14-24-20)16-7-9-27(10-8-16)32(3,29)30;1-31(29,30)27-9-6-15(7-10-27)22-18-13-28(16(12-23)11-20(18)25-14-26-22)21-5-8-24-19-4-2-3-17(19)21/h5-6,13,15-18H,7-12,14H2,1-4H3;4-5,12,14-16H,6-11,13H2,1-3H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3/t17-;15-;/m11./s1
• InChIKey: BLYKXKVKBUMBRL-XMIRYGPISA-N
• XLogP: 8.34
• TPSA: 256.33 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.77
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 157390552) is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.COc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1.

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

The InChIKey is BLYKXKVKBUMBRL-XMIRYGPISA-N. The full InChI is InChI=1S/C25H33N5O3S.C23H29N5O3S.C22H26FN5O2S/c1-16(2)33-24-13-23(19-6-5-7-21(19)28-24)30-14-20-22(12-17(30)3)26-15-27-25(20)18-8-10-29(11-9-18)34(4,31)32;1-15-11-20-18(13-28(15)21-12-22(31-2)26-19-6-4-5-17(19)21)23(25-14-24-20)16-7-9-27(10-8-16)32(3,29)30;1-31(29,30)27-9-6-15(7-10-27)22-18-13-28(16(12-23)11-20(18)25-14-26-22)21-5-8-24-19-4-2-3-17(19)21/h5-6,13,15-18H,7-12,14H2,1-4H3;4-5,12,14-16H,6-11,13H2,1-3H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3/t17-;15-;/m11./s1.

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

6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1382.77 g/mol, XLogP of 8.34, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-methoxy-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-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 157390552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).