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

C110H131Cl3N26O10S4 — CID 159104240

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

(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate (PubChem CID 159104240) has the molecular formula C110H131Cl3N26O10S4 and a molecular weight of 2212.06 g/mol. Its IUPAC name is (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate.

Molecular Properties

• Compound Name: (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate
• PubChem CID: 159104240
• Molecular Formula: C110H131Cl3N26O10S4
• Molecular Weight: 2212.06 g/mol
• Exact Mass: 2208.85
• IUPAC Name: (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate
• SMILES: COC(=O)N1CCCN(c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2
• InChI: InChI=1S/C22H25ClN6O2.2C22H26ClN5O2S.2C22H27N5O2S/c1-14-9-18-16(11-29(14)19-10-20(23)26-17-6-3-5-15(17)19)21(25-12-24-18)27-7-4-8-28(13-27)22(30)31-2;1-14-10-19-17(12-28(14)20-11-21(23)26-18-5-3-4-16(18)20)22(25-13-24-19)27-8-6-15(7-9-27)31(2,29)30;1-14-10-19-17(12-28(14)20-11-21(23)26-18-5-3-4-16(18)20)22(25-13-24-19)15-6-8-27(9-7-15)31(2,29)30;1-15-12-20-18(13-27(15)21-6-9-23-19-5-3-4-17(19)21)22(25-14-24-20)26-10-7-16(8-11-26)30(2,28)29;1-15-12-20-18(13-27(15)21-6-9-23-19-5-3-4-17(19)21)22(25-14-24-20)16-7-10-26(11-8-16)30(2,28)29/h3,5,10,12,14H,4,6-9,11,13H2,1-2H3;2*3-4,11,13-15H,5-10,12H2,1-2H3;2*3-4,6,9,14-16H,5,7-8,10-13H2,1-2H3/t3*14-;2*15-/m11111/s1
• InChIKey: KDRFIQKOMOZBFE-SIXJNZNVSA-N
• XLogP: 14.46
• TPSA: 391.85 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.06
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate (CID 159104240) is (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate.

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

The canonical SMILES for (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate is COC(=O)N1CCCN(c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2c1C=CC2.C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.

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

The InChIKey is KDRFIQKOMOZBFE-SIXJNZNVSA-N. The full InChI is InChI=1S/C22H25ClN6O2.2C22H26ClN5O2S.2C22H27N5O2S/c1-14-9-18-16(11-29(14)19-10-20(23)26-17-6-3-5-15(17)19)21(25-12-24-18)27-7-4-8-28(13-27)22(30)31-2;1-14-10-19-17(12-28(14)20-11-21(23)26-18-5-3-4-16(18)20)22(25-13-24-19)27-8-6-15(7-9-27)31(2,29)30;1-14-10-19-17(12-28(14)20-11-21(23)26-18-5-3-4-16(18)20)22(25-13-24-19)15-6-8-27(9-7-15)31(2,29)30;1-15-12-20-18(13-27(15)21-6-9-23-19-5-3-4-17(19)21)22(25-14-24-20)26-10-7-16(8-11-26)30(2,28)29;1-15-12-20-18(13-27(15)21-6-9-23-19-5-3-4-17(19)21)22(25-14-24-20)16-7-10-26(11-8-16)30(2,28)29/h3,5,10,12,14H,4,6-9,11,13H2,1-2H3;2*3-4,11,13-15H,5-10,12H2,1-2H3;2*3-4,6,9,14-16H,5,7-8,10-13H2,1-2H3/t3*14-;2*15-/m11111/s1.

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

(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate has a molecular weight of 2212.06 g/mol, XLogP of 14.46, 14 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl 3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-1,3-diazinane-1-carboxylate is sourced from PubChem (CID 159104240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).