N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate

C112H100F5N27O19S4 — CID 159691691

About N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate

N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate (PubChem CID 159691691) has the molecular formula C112H100F5N27O19S4 and a molecular weight of 2351.46 g/mol. Its IUPAC name is N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate.

Molecular Properties

• Compound Name: N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate
• PubChem CID: 159691691
• Molecular Formula: C112H100F5N27O19S4
• Molecular Weight: 2351.46 g/mol
• Exact Mass: 2349.65
• IUPAC Name: N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate
• SMILES: CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(N(C)C(C)=O)c1.COC(=O)CCS(=O)(=O)c1cncc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)CCCO)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)O)c1.NC(=O)CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C24H23FN6O2.C24H22FN5O5S.C23H22FN5O4S.C21H17FN6O4S.C20H16FN5O4S/c1-4-21(16-9-10-27-23(11-16)30(3)15(2)32)29-24(33)20-12-26-14-22-19(20)13-28-31(22)18-7-5-17(25)6-8-18;1-15(16-9-19(11-26-10-16)36(33,34)8-7-23(31)35-2)29-24(32)21-12-27-14-22-20(21)13-28-30(22)18-5-3-17(25)4-6-18;1-15(16-7-8-26-22(11-16)34(32,33)10-2-9-30)28-23(31)20-12-25-14-21-19(20)13-27-29(21)18-5-3-17(24)4-6-18;22-14-1-3-15(4-2-14)28-18-11-24-9-17(16(18)10-27-28)21(30)26-8-13-5-6-25-20(7-13)33(31,32)12-19(23)29;1-12(13-6-7-23-19(8-13)31(28,29)30)25-20(27)17-9-22-11-18-16(17)10-24-26(18)15-4-2-14(21)3-5-15/h5-14,21H,4H2,1-3H3,(H,29,33);3-6,9-15H,7-8H2,1-2H3,(H,29,32);3-8,11-15,30H,2,9-10H2,1H3,(H,28,31);1-7,9-11H,8,12H2,(H2,23,29)(H,26,30);2-12H,1H3,(H,25,27)(H,28,29,30)/t21-;2*15-;;12-/m000.0/s1
• InChIKey: MWMOJMARWBXQEM-ZYVDAPINSA-N
• XLogP: 13.04
• TPSA: 630.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2351.46
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate?

The IUPAC name of N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate (CID 159691691) is N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate.

What is the SMILES notation for N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate?

The canonical SMILES for N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(N(C)C(C)=O)c1.COC(=O)CCS(=O)(=O)c1cncc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)CCCO)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)O)c1.NC(=O)CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.

What is the InChIKey of N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate?

The InChIKey is MWMOJMARWBXQEM-ZYVDAPINSA-N. The full InChI is InChI=1S/C24H23FN6O2.C24H22FN5O5S.C23H22FN5O4S.C21H17FN6O4S.C20H16FN5O4S/c1-4-21(16-9-10-27-23(11-16)30(3)15(2)32)29-24(33)20-12-26-14-22-19(20)13-28-31(22)18-7-5-17(25)6-8-18;1-15(16-9-19(11-26-10-16)36(33,34)8-7-23(31)35-2)29-24(32)21-12-27-14-22-20(21)13-28-30(22)18-5-3-17(25)4-6-18;1-15(16-7-8-26-22(11-16)34(32,33)10-2-9-30)28-23(31)20-12-25-14-21-19(20)13-27-29(21)18-5-3-17(24)4-6-18;22-14-1-3-15(4-2-14)28-18-11-24-9-17(16(18)10-27-28)21(30)26-8-13-5-6-25-20(7-13)33(31,32)12-19(23)29;1-12(13-6-7-23-19(8-13)31(28,29)30)25-20(27)17-9-22-11-18-16(17)10-24-26(18)15-4-2-14(21)3-5-15/h5-14,21H,4H2,1-3H3,(H,29,33);3-6,9-15H,7-8H2,1-2H3,(H,29,32);3-8,11-15,30H,2,9-10H2,1H3,(H,28,31);1-7,9-11H,8,12H2,(H2,23,29)(H,26,30);2-12H,1H3,(H,25,27)(H,28,29,30)/t21-;2*15-;;12-/m000.0/s1.

What are the key properties of N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate?

N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate has a molecular weight of 2351.46 g/mol, XLogP of 13.04, 34 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[2-[acetyl(methyl)amino]-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[2-(2-amino-2-oxoethyl)sulfonyl-4-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]pyridine-2-sulfonic acid;methyl 3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-3-pyridinyl]sulfonyl]propanoate is sourced from PubChem (CID 159691691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).