5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C76H71N17O6 — CID 158153077

IUPAC5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C28H27N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyFVIWOANSAGDWDQ-UHFFFAOYSA-N
MW1318.52 g/mol
LogP9.52
Rot. Bonds18

About 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 158153077) has the molecular formula C76H71N17O6 and a molecular weight of 1318.52 g/mol. Its IUPAC name is 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID158153077
Molecular FormulaC76H71N17O6
Molecular Weight1318.52 g/mol
Exact Mass1317.58
IUPAC Name5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C28H27N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyFVIWOANSAGDWDQ-UHFFFAOYSA-N
XLogP9.52
TPSA373.87 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001318.52
LogP ≤ 59.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(4-methylphenyl)-3-[1-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]piperidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327741
US20240025884, Example 314
CID 170672779
US20240025884, Example 302
CID 170672803
US20240025884, Example 412
CID 170672873
US20240025884, Example 334
CID 170672884
US20240025884, Example 348
CID 170672895
US20240025884, Example 293
CID 170673105
US20240025884, Example 452
CID 170673113
US20240025884, Example 292
CID 170673251
US20240025884, Example 298
CID 170673261
5-Amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(2,2-difluorocyclopentyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 157615729
5-Amino-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157710263

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 158153077) is 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is FVIWOANSAGDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 1318.52 g/mol, XLogP of 9.52, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 158153077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).