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

C110H121N23O10S5 — CID 159005664

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

6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 159005664) has the molecular formula C110H121N23O10S5 and a molecular weight of 2085.66 g/mol. Its IUPAC name is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 159005664
• Molecular Formula: C110H121N23O10S5
• Molecular Weight: 2085.66 g/mol
• Exact Mass: 2083.83
• IUPAC Name: 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC1Cc2ncnc(-c3ccc(S(C)(=O)=O)cc3)c2CN1c1ccnc2c1C=CC2.CC1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)CC3)CC1.CS(=O)(=O)c1ccc(-c2ncnc3c2CN(c2ccnc4c2C=CC4)CC3)cc1.C[C@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2
• InChI: InChI=1S/C23H22N4O2S.2C22H27N5O2S.C22H20N4O2S.C21H25N5O2S/c1-15-12-21-19(13-27(15)22-10-11-24-20-5-3-4-18(20)22)23(26-14-25-21)16-6-8-17(9-7-16)30(2,28)29;2*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;1-29(27,28)16-7-5-15(6-8-16)22-18-13-26(12-10-20(18)24-14-25-22)21-9-11-23-19-4-2-3-17(19)21;1-29(27,28)26-11-6-15(7-12-26)21-17-13-25(10-8-19(17)23-14-24-21)20-5-9-22-18-4-2-3-16(18)20/h3-4,6-11,14-15H,5,12-13H2,1-2H3;2*3-4,6,9,14-16H,5,7-8,10-13H2,1-2H3;2-3,5-9,11,14H,4,10,12-13H2,1H3;2-3,5,9,14-15H,4,6-8,10-13H2,1H3/t;15-;;;/m.0.../s1
• InChIKey: JRWRMJMWJKUFRI-MRIILSCHSA-N
• XLogP: 13.74
• TPSA: 389.97 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.66
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 159005664) is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-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-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1Cc2ncnc(-c3ccc(S(C)(=O)=O)cc3)c2CN1c1ccnc2c1C=CC2.CC1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)CC3)CC1.CS(=O)(=O)c1ccc(-c2ncnc3c2CN(c2ccnc4c2C=CC4)CC3)cc1.C[C@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2c1C=CC2.

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

The InChIKey is JRWRMJMWJKUFRI-MRIILSCHSA-N. The full InChI is InChI=1S/C23H22N4O2S.2C22H27N5O2S.C22H20N4O2S.C21H25N5O2S/c1-15-12-21-19(13-27(15)22-10-11-24-20-5-3-4-18(20)22)23(26-14-25-21)16-6-8-17(9-7-16)30(2,28)29;2*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;1-29(27,28)16-7-5-15(6-8-16)22-18-13-26(12-10-20(18)24-14-25-22)21-9-11-23-19-4-2-3-17(19)21;1-29(27,28)26-11-6-15(7-12-26)21-17-13-25(10-8-19(17)23-14-24-21)20-5-9-22-18-4-2-3-16(18)20/h3-4,6-11,14-15H,5,12-13H2,1-2H3;2*3-4,6,9,14-16H,5,7-8,10-13H2,1-2H3;2-3,5-9,11,14H,4,10,12-13H2,1H3;2-3,5,9,14-15H,4,6-8,10-13H2,1H3/t;15-;;;/m.0.../s1.

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

6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 2085.66 g/mol, XLogP of 13.74, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7S)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-methylsulfonylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 159005664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).