N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C108H100F5N29O12S3 — CID 157371561

IUPACN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(CO)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1csc(S(C)(=O)=O)n1.CS(=O)(=O)n1ccc2c(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)ccnc21.O=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H20FN7O2.C22H17FN6O3S.C22H25FN6O2.C22H20FN5O2.C20H18FN5O3S2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29;1-33(31,32)28-9-7-17-14(6-8-25-21(17)28)10-26-22(30)19-11-24-13-20-18(19)12-27-29(20)16-4-2-15(23)3-5-16;1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-25-16(9-14)13-29)27-22(30)19-10-24-12-21-18(19)11-26-28(21)17-5-3-15(23)4-6-17;1-3-16(17-11-30-20(25-17)31(2,28)29)24-19(27)15-8-22-10-18-14(15)9-23-26(18)13-6-4-12(21)5-7-13/h1-6,12-14H,7-11H2,(H,26,31);2-9,11-13H,10H2,1H3,(H,26,30);3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31);3-12,20,29H,2,13H2,1H3,(H,27,30);4-11,16H,3H2,1-2H3,(H,24,27)/t;;13?,18-,19?;20-;16-/m..000/s1
InChIKeyBJVAZMVGRKSBLR-YBINCJSXSA-N
MW2187.37 g/mol
LogP13.31
Rot. Bonds28

About N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 157371561) has the molecular formula C108H100F5N29O12S3 and a molecular weight of 2187.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID157371561
Molecular FormulaC108H100F5N29O12S3
Molecular Weight2187.37 g/mol
Exact Mass2185.72
IUPAC NameN-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(CO)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1csc(S(C)(=O)=O)n1.CS(=O)(=O)n1ccc2c(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)ccnc21.O=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H20FN7O2.C22H17FN6O3S.C22H25FN6O2.C22H20FN5O2.C20H18FN5O3S2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29;1-33(31,32)28-9-7-17-14(6-8-25-21(17)28)10-26-22(30)19-11-24-13-20-18(19)12-27-29(20)16-4-2-15(23)3-5-16;1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-25-16(9-14)13-29)27-22(30)19-10-24-12-21-18(19)11-26-28(21)17-5-3-15(23)4-6-17;1-3-16(17-11-30-20(25-17)31(2,28)29)24-19(27)15-8-22-10-18-14(15)9-23-26(18)13-6-4-12(21)5-7-13/h1-6,12-14H,7-11H2,(H,26,31);2-9,11-13H,10H2,1H3,(H,26,30);3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31);3-12,20,29H,2,13H2,1H3,(H,27,30);4-11,16H,3H2,1-2H3,(H,24,27)/t;;13?,18-,19?;20-;16-/m..000/s1
InChIKeyBJVAZMVGRKSBLR-YBINCJSXSA-N
XLogP13.31
TPSA524.53 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.37
LogP ≤ 513.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 157371561) is N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCNC(C(N)=O)C1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(CO)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1csc(S(C)(=O)=O)n1.CS(=O)(=O)n1ccc2c(CNC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)ccnc21.O=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is BJVAZMVGRKSBLR-YBINCJSXSA-N. The full InChI is InChI=1S/C22H20FN7O2.C22H17FN6O3S.C22H25FN6O2.C22H20FN5O2.C20H18FN5O3S2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29;1-33(31,32)28-9-7-17-14(6-8-25-21(17)28)10-26-22(30)19-11-24-13-20-18(19)12-27-29(20)16-4-2-15(23)3-5-16;1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-25-16(9-14)13-29)27-22(30)19-10-24-12-21-18(19)11-26-28(21)17-5-3-15(23)4-6-17;1-3-16(17-11-30-20(25-17)31(2,28)29)24-19(27)15-8-22-10-18-14(15)9-23-26(18)13-6-4-12(21)5-7-13/h1-6,12-14H,7-11H2,(H,26,31);2-9,11-13H,10H2,1H3,(H,26,30);3-6,10-13,18-19,26H,2,7-9H2,1H3,(H2,24,30)(H,28,31);3-12,20,29H,2,13H2,1H3,(H,27,30);4-11,16H,3H2,1-2H3,(H,24,27)/t;;13?,18-,19?;20-;16-/m..000/s1.
What are the key properties of N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2187.37 g/mol, XLogP of 13.31, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 157371561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).