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

C90H106Cl2N20O8S2 — CID 158766176

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

(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 158766176) has the molecular formula C90H106Cl2N20O8S2 and a molecular weight of 1731.01 g/mol. Its IUPAC name is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate
• PubChem CID: 158766176
• Molecular Formula: C90H106Cl2N20O8S2
• Molecular Weight: 1731.01 g/mol
• Exact Mass: 1728.73
• IUPAC Name: (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC[C@@H](c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.COC(=O)N1CCC[C@H](c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.C[C@@H]1Cc2ncnc([C@@H]3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@H]3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2
• InChI: InChI=1S/2C23H26ClN5O2.2C22H27N5O2S/c2*1-14-9-19-17(12-29(14)20-10-21(24)27-18-7-3-6-16(18)20)22(26-13-25-19)15-5-4-8-28(11-15)23(30)31-2;2*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/h2*3,6,10,13-15H,4-5,7-9,11-12H2,1-2H3;2*3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3/t14-,15+;14-,15-;15-,16+;15-,16-/m1111/s1
• InChIKey: IPHFCGLZOPPEOK-YNMDRKEZSA-N
• XLogP: 13.04
• TPSA: 301.48 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.01
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate (CID 158766176) is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate.

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

The canonical SMILES for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate is COC(=O)N1CCC[C@@H](c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.COC(=O)N1CCC[C@H](c2ncnc3c2CN(c2cc(Cl)nc4c2C=CC4)[C@H](C)C3)C1.C[C@@H]1Cc2ncnc([C@@H]3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@H]3CCCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.

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

The InChIKey is IPHFCGLZOPPEOK-YNMDRKEZSA-N. The full InChI is InChI=1S/2C23H26ClN5O2.2C22H27N5O2S/c2*1-14-9-19-17(12-29(14)20-10-21(24)27-18-7-3-6-16(18)20)22(26-13-25-19)15-5-4-8-28(11-15)23(30)31-2;2*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/h2*3,6,10,13-15H,4-5,7-9,11-12H2,1-2H3;2*3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3/t14-,15+;14-,15-;15-,16+;15-,16-/m1111/s1.

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

(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 1731.01 g/mol, XLogP of 13.04, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methyl (3S)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate;methyl (3R)-3-[(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158766176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).