5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C22H19BrN6O2 — CID 176510201

IUPAC5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2n[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C22H19BrN6O2/c1-12-5-3-4-6-16(12)26-20-18(9-13(11-25-20)21(30)24-2)27-22(31)19-15-10-14(23)7-8-17(15)28-29-19/h3-11H,1-2H3,(H,24,30)(H,25,26)(H,27,31)(H,28,29)
InChIKeyQWXLJBUBQBMPPJ-UHFFFAOYSA-N
MW479.34 g/mol
LogP4.38
Rot. Bonds5

About 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 176510201) has the molecular formula C22H19BrN6O2 and a molecular weight of 479.34 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID176510201
Molecular FormulaC22H19BrN6O2
Molecular Weight479.34 g/mol
Exact Mass478.08
IUPAC Name5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2n[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C22H19BrN6O2/c1-12-5-3-4-6-16(12)26-20-18(9-13(11-25-20)21(30)24-2)27-22(31)19-15-10-14(23)7-8-17(15)28-29-19/h3-11H,1-2H3,(H,24,30)(H,25,26)(H,27,31)(H,28,29)
InChIKeyQWXLJBUBQBMPPJ-UHFFFAOYSA-N
XLogP4.38
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512347
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 176510201) is 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2n[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QWXLJBUBQBMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN6O2/c1-12-5-3-4-6-16(12)26-20-18(9-13(11-25-20)21(30)24-2)27-22(31)19-15-10-14(23)7-8-17(15)28-29-19/h3-11H,1-2H3,(H,24,30)(H,25,26)(H,27,31)(H,28,29).
What are the key properties of 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 176510201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).