N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide

C22H19N7OS — CID 89412129

IUPACN-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
SMILESCNc1ncc(-c2ccc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3c2)s1
InChIInChI=1S/C22H19N7OS/c1-23-22-24-11-19(31-22)15-7-8-17-18(9-15)27-28-20(17)21(30)26-16-10-25-29(13-16)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,30)(H,27,28)
InChIKeyJKEGYYYCAPYROO-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.23
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide (PubChem CID 89412129) has the molecular formula C22H19N7OS and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
PubChem CID89412129
Molecular FormulaC22H19N7OS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
SMILESCNc1ncc(-c2ccc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3c2)s1
InChIInChI=1S/C22H19N7OS/c1-23-22-24-11-19(31-22)15-7-8-17-18(9-15)27-28-20(17)21(30)26-16-10-25-29(13-16)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,30)(H,27,28)
InChIKeyJKEGYYYCAPYROO-UHFFFAOYSA-N
XLogP4.23
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
6-(1H-pyrazol-5-yl)-N-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267284
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259778
N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
CID 166046733
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide (CID 89412129) is N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide is CNc1ncc(-c2ccc3c(C(=O)Nc4cnn(Cc5ccccc5)c4)n[nH]c3c2)s1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is JKEGYYYCAPYROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS/c1-23-22-24-11-19(31-22)15-7-8-17-18(9-15)27-28-20(17)21(30)26-16-10-25-29(13-16)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,30)(H,27,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89412129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).