N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C104H97F5N30O12S3 — CID 161341445

IUPACN-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(S(C)(=O)=O)n1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn[nH]1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc[nH]1.CS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C24H23FN6O4S.C22H21FN6O3S.C20H19FN6O3S.2C19H17FN6O/c1-15(32)27-10-8-21(16-7-9-28-23(11-16)36(2,34)35)30-24(33)20-12-26-14-22-19(20)13-29-31(22)18-5-3-17(25)4-6-18;1-33(31,32)21-10-14(7-9-26-21)19(6-8-24)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-4-2-15(23)3-5-16;1-3-17(18-8-9-26(25-18)31(2,29)30)24-20(28)16-10-22-12-19-15(16)11-23-27(19)14-6-4-13(21)5-7-14;1-2-16(17-9-22-11-23-17)25-19(27)15-7-21-10-18-14(15)8-24-26(18)13-5-3-12(20)4-6-13;1-2-16(17-7-8-22-25-17)24-19(27)15-9-21-11-18-14(15)10-23-26(18)13-5-3-12(20)4-6-13/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,27,32)(H,30,33);2-5,7,9-13,19H,6,8,24H2,1H3,(H,28,30);4-12,17H,3H2,1-2H3,(H,24,28);3-11,16H,2H2,1H3,(H,22,23)(H,25,27);3-11,16H,2H2,1H3,(H,22,25)(H,24,27)/t21-;19-;17-;2*16-/m00000/s1
InChIKeyVMSHZHBWOAAIPT-IBWYPPSTSA-N
MW2150.31 g/mol
LogP13.31
Rot. Bonds31

About N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 161341445) has the molecular formula C104H97F5N30O12S3 and a molecular weight of 2150.31 g/mol. Its IUPAC name is N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID161341445
Molecular FormulaC104H97F5N30O12S3
Molecular Weight2150.31 g/mol
Exact Mass2148.70
IUPAC NameN-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(S(C)(=O)=O)n1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn[nH]1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc[nH]1.CS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C24H23FN6O4S.C22H21FN6O3S.C20H19FN6O3S.2C19H17FN6O/c1-15(32)27-10-8-21(16-7-9-28-23(11-16)36(2,34)35)30-24(33)20-12-26-14-22-19(20)13-29-31(22)18-5-3-17(25)4-6-18;1-33(31,32)21-10-14(7-9-26-21)19(6-8-24)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-4-2-15(23)3-5-16;1-3-17(18-8-9-26(25-18)31(2,29)30)24-20(28)16-10-22-12-19-15(16)11-23-27(19)14-6-4-13(21)5-7-14;1-2-16(17-9-22-11-23-17)25-19(27)15-7-21-10-18-14(15)8-24-26(18)13-5-3-12(20)4-6-13;1-2-16(17-7-8-22-25-17)24-19(27)15-9-21-11-18-14(15)10-23-26(18)13-5-3-12(20)4-6-13/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,27,32)(H,30,33);2-5,7,9-13,19H,6,8,24H2,1H3,(H,28,30);4-12,17H,3H2,1-2H3,(H,24,28);3-11,16H,2H2,1H3,(H,22,23)(H,25,27);3-11,16H,2H2,1H3,(H,22,25)(H,24,27)/t21-;19-;17-;2*16-/m00000/s1
InChIKeyVMSHZHBWOAAIPT-IBWYPPSTSA-N
XLogP13.31
TPSA557.55 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.31
LogP ≤ 513.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 161341445) is N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(S(C)(=O)=O)n1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn[nH]1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc[nH]1.CS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is VMSHZHBWOAAIPT-IBWYPPSTSA-N. The full InChI is InChI=1S/C24H23FN6O4S.C22H21FN6O3S.C20H19FN6O3S.2C19H17FN6O/c1-15(32)27-10-8-21(16-7-9-28-23(11-16)36(2,34)35)30-24(33)20-12-26-14-22-19(20)13-29-31(22)18-5-3-17(25)4-6-18;1-33(31,32)21-10-14(7-9-26-21)19(6-8-24)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-4-2-15(23)3-5-16;1-3-17(18-8-9-26(25-18)31(2,29)30)24-20(28)16-10-22-12-19-15(16)11-23-27(19)14-6-4-13(21)5-7-14;1-2-16(17-9-22-11-23-17)25-19(27)15-7-21-10-18-14(15)8-24-26(18)13-5-3-12(20)4-6-13;1-2-16(17-7-8-22-25-17)24-19(27)15-9-21-11-18-14(15)10-23-26(18)13-5-3-12(20)4-6-13/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,27,32)(H,30,33);2-5,7,9-13,19H,6,8,24H2,1H3,(H,28,30);4-12,17H,3H2,1-2H3,(H,24,28);3-11,16H,2H2,1H3,(H,22,23)(H,25,27);3-11,16H,2H2,1H3,(H,22,25)(H,24,27)/t21-;19-;17-;2*16-/m00000/s1.
What are the key properties of N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2150.31 g/mol, XLogP of 13.31, 31 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-imidazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylpyrazol-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1H-pyrazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 161341445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).