1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide

C101H120F4N18O12S4 — CID 158348615

About 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide

1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide (PubChem CID 158348615) has the molecular formula C101H120F4N18O12S4 and a molecular weight of 1982.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide
• PubChem CID: 158348615
• Molecular Formula: C101H120F4N18O12S4
• Molecular Weight: 1982.44 g/mol
• Exact Mass: 1980.82
• IUPAC Name: 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide
• SMILES: CCC[C@H](NC(=O)C1c2cnn(-c3ccc(F)cc3)c2CCC[C@@H]1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)C1c2cnn(-c3ccc(F)cc3)c2CCC[C@H]1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
• InChI: InChI=1S/2C26H31FN4O3S.C25H30FN5O3S.C24H28FN5O3S/c2*1-4-6-22(18-13-14-28-24(15-18)35(3,33)34)30-26(32)25-17(2)7-5-8-23-21(25)16-29-31(23)20-11-9-19(27)10-12-20;1-5-6-20(17-11-12-27-23(13-17)35(4,33)34)29-24(32)30-16-25(2,3)14-21-22(30)15-28-31(21)19-9-7-18(26)8-10-19;1-4-5-20(17-10-11-26-23(13-17)34(3,32)33)28-24(31)29-15-16(2)12-21-22(29)14-27-30(21)19-8-6-18(25)7-9-19/h2*9-17,22,25H,4-8H2,1-3H3,(H,30,32);7-13,15,20H,5-6,14,16H2,1-4H3,(H,29,32);6-11,13-14,16,20H,4-5,12,15H2,1-3H3,(H,28,31)/t17-,22+,25?;17-,22-,25?;20-;16?,20-/m1000/s1
• InChIKey: GSASNQFEJLFLQX-MOEQXKMQSA-N
• XLogP: 17.56
• TPSA: 382.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1982.44
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide (CID 158348615) is 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide is CCC[C@H](NC(=O)C1c2cnn(-c3ccc(F)cc3)c2CCC[C@@H]1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)C1c2cnn(-c3ccc(F)cc3)c2CCC[C@H]1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.

What is the InChIKey of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide?

The InChIKey is GSASNQFEJLFLQX-MOEQXKMQSA-N. The full InChI is InChI=1S/2C26H31FN4O3S.C25H30FN5O3S.C24H28FN5O3S/c2*1-4-6-22(18-13-14-28-24(15-18)35(3,33)34)30-26(32)25-17(2)7-5-8-23-21(25)16-29-31(23)20-11-9-19(27)10-12-20;1-5-6-20(17-11-12-27-23(13-17)35(4,33)34)29-24(32)30-16-25(2,3)14-21-22(30)15-28-31(21)19-9-7-18(26)8-10-19;1-4-5-20(17-10-11-26-23(13-17)34(3,32)33)28-24(31)29-15-16(2)12-21-22(29)14-27-30(21)19-8-6-18(25)7-9-19/h2*9-17,22,25H,4-8H2,1-3H3,(H,30,32);7-13,15,20H,5-6,14,16H2,1-4H3,(H,29,32);6-11,13-14,16,20H,4-5,12,15H2,1-3H3,(H,28,31)/t17-,22+,25?;17-,22-,25?;20-;16?,20-/m1000/s1.

What are the key properties of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide?

1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide has a molecular weight of 1982.44 g/mol, XLogP of 17.56, 26 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,7-dihydropyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-6-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;(5R)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide;(5S)-1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-4-carboxamide is sourced from PubChem (CID 158348615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).