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

C66H77ClF3N15O6S3 — CID 159885580

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

(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide (PubChem CID 159885580) has the molecular formula C66H77ClF3N15O6S3 and a molecular weight of 1365.09 g/mol. Its IUPAC name is (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide.

Molecular Properties

• Compound Name: (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide
• PubChem CID: 159885580
• Molecular Formula: C66H77ClF3N15O6S3
• Molecular Weight: 1365.09 g/mol
• Exact Mass: 1363.50
• IUPAC Name: (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide
• SMILES: CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(C(F)F)C3)CC1.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1.C[C@@H]1Cc2ncnc(C3CCCN(C)C3)c2CN1c1cc(Cl)nc2c1C=CC2.O=S=O
• InChI: InChI=1S/C22H26ClN5.C22H25F2N5O2S.C22H26FN5O2S.O2S/c1-14-9-19-17(22(25-13-24-19)15-5-4-8-27(2)11-15)12-28(14)20-10-21(23)26-18-7-3-6-16(18)20;1-32(30,31)28-9-6-14(7-10-28)21-16-12-29(19-5-8-25-17-4-2-3-15(17)19)20(22(23)24)11-18(16)26-13-27-21;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;1-3-2/h3,6,10,13-15H,4-5,7-9,11-12H2,1-2H3;2-3,5,8,13-14,20,22H,4,6-7,9-12H2,1H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3;/t14-,15?;;;/m1.../s1
• InChIKey: NUCBDUGKPIFXQI-HVWYJCCASA-N
• XLogP: 8.44
• TPSA: 237.87 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.09
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide?

The IUPAC name of (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide (CID 159885580) is (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide.

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

The canonical SMILES for (7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide is CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(C(F)F)C3)CC1.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1.C[C@@H]1Cc2ncnc(C3CCCN(C)C3)c2CN1c1cc(Cl)nc2c1C=CC2.O=S=O.

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

The InChIKey is NUCBDUGKPIFXQI-HVWYJCCASA-N. The full InChI is InChI=1S/C22H26ClN5.C22H25F2N5O2S.C22H26FN5O2S.O2S/c1-14-9-19-17(22(25-13-24-19)15-5-4-8-27(2)11-15)12-28(14)20-10-21(23)26-18-7-3-6-16(18)20;1-32(30,31)28-9-6-14(7-10-28)21-16-12-29(19-5-8-25-17-4-2-3-15(17)19)20(22(23)24)11-18(16)26-13-27-21;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;1-3-2/h3,6,10,13-15H,4-5,7-9,11-12H2,1-2H3;2-3,5,8,13-14,20,22H,4,6-7,9-12H2,1H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3;/t14-,15?;;;/m1.../s1.

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

(7R)-6-(2-chloro-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide has a molecular weight of 1365.09 g/mol, XLogP of 8.44, 10 rotatable bonds, 0 hydrogen bond donors, and 19 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-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-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;sulfur dioxide is sourced from PubChem (CID 159885580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).