4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid

C50H60N14O9 — CID 159191145

IUPAC4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1cc(-c2cccc(C(=O)O)n2)ccn1.Cn1cc(N)c(C(N)=O)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(N(CC4CC4)C(=O)OC(C)(C)C)c3)n2)c(C(N)=O)n1
InChIInChI=1S/C25H29N7O4.C20H23N3O4.C5H8N4O/c1-25(2,3)36-24(35)32(13-15-8-9-15)20-12-16(10-11-27-20)17-6-5-7-18(28-17)23(34)29-19-14-31(4)30-21(19)22(26)33;1-20(2,3)27-19(26)23(12-13-7-8-13)17-11-14(9-10-21-17)15-5-4-6-16(22-15)18(24)25;1-9-2-3(6)4(8-9)5(7)10/h5-7,10-12,14-15H,8-9,13H2,1-4H3,(H2,26,33)(H,29,34);4-6,9-11,13H,7-8,12H2,1-3H3,(H,24,25);2H,6H2,1H3,(H2,7,10)
InChIKeyKOCHHLOVVLJIQG-UHFFFAOYSA-N
MW1001.12 g/mol
LogP6.47
Rot. Bonds13

About 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid

4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 159191145) has the molecular formula C50H60N14O9 and a molecular weight of 1001.12 g/mol. Its IUPAC name is 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid
PubChem CID159191145
Molecular FormulaC50H60N14O9
Molecular Weight1001.12 g/mol
Exact Mass1000.47
IUPAC Name4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1cc(-c2cccc(C(=O)O)n2)ccn1.Cn1cc(N)c(C(N)=O)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(N(CC4CC4)C(=O)OC(C)(C)C)c3)n2)c(C(N)=O)n1
InChIInChI=1S/C25H29N7O4.C20H23N3O4.C5H8N4O/c1-25(2,3)36-24(35)32(13-15-8-9-15)20-12-16(10-11-27-20)17-6-5-7-18(28-17)23(34)29-19-14-31(4)30-21(19)22(26)33;1-20(2,3)27-19(26)23(12-13-7-8-13)17-11-14(9-10-21-17)15-5-4-6-16(22-15)18(24)25;1-9-2-3(6)4(8-9)5(7)10/h5-7,10-12,14-15H,8-9,13H2,1-4H3,(H2,26,33)(H,29,34);4-6,9-11,13H,7-8,12H2,1-3H3,(H,24,25);2H,6H2,1H3,(H2,7,10)
InChIKeyKOCHHLOVVLJIQG-UHFFFAOYSA-N
XLogP6.47
TPSA324.88 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.12
LogP ≤ 56.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-methyl-4-[4-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylic acid
CID 86279238
5-(1-amino-6-(trans-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamido)-2,7-naphthyridin-3-yl)-4-methylpicolinic acid
CID 135344538
4-[3-Carbamoyl-4-[[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]-3-methylbenzoic acid
CID 138694893
4-[3-Carbamoyl-4-[[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]pyridin-4-yl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid
CID 138695354
5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140679254
6-(2,6-Difluorophenyl)-4-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-2-pyridinyl]amino]pyridazine-3-carboxylic acid
CID 152019998
tert-butyl N-[(3R,5R)-1-[2-[1-(cyclopropylmethyl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829146
tert-butyl N-[(3R,5R)-1-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829151
magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide
CID 158345714
tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate;5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]pyridine-2-carboxylic acid
CID 159315411
5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 159984933
5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 159984935

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid (CID 159191145) is 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N(CC1CC1)c1cc(-c2cccc(C(=O)O)n2)ccn1.Cn1cc(N)c(C(N)=O)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(N(CC4CC4)C(=O)OC(C)(C)C)c3)n2)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is KOCHHLOVVLJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4.C20H23N3O4.C5H8N4O/c1-25(2,3)36-24(35)32(13-15-8-9-15)20-12-16(10-11-27-20)17-6-5-7-18(28-17)23(34)29-19-14-31(4)30-21(19)22(26)33;1-20(2,3)27-19(26)23(12-13-7-8-13)17-11-14(9-10-21-17)15-5-4-6-16(22-15)18(24)25;1-9-2-3(6)4(8-9)5(7)10/h5-7,10-12,14-15H,8-9,13H2,1-4H3,(H2,26,33)(H,29,34);4-6,9-11,13H,7-8,12H2,1-3H3,(H,24,25);2H,6H2,1H3,(H2,7,10).
What are the key properties of 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid?
4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 1001.12 g/mol, XLogP of 6.47, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159191145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).