6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide

C22H25BrN4O2 — CID 123525200

IUPAC6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide
SMILESCc1cc(C)c(CN(C(=O)c2cc(CBr)cc3[nH]ncc23)C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C22H25BrN4O2/c1-13-7-14(2)25-21(28)19(13)12-27(16-5-3-4-6-16)22(29)17-8-15(10-23)9-20-18(17)11-24-26-20/h7-9,11,16H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyIBVFZAWPNBUEJB-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.35
Rot. Bonds5

About 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide

6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide (PubChem CID 123525200) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide
PubChem CID123525200
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide
SMILESCc1cc(C)c(CN(C(=O)c2cc(CBr)cc3[nH]ncc23)C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C22H25BrN4O2/c1-13-7-14(2)25-21(28)19(13)12-27(16-5-3-4-6-16)22(29)17-8-15(10-23)9-20-18(17)11-24-26-20/h7-9,11,16H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyIBVFZAWPNBUEJB-UHFFFAOYSA-N
XLogP4.35
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-formyl-2-methylphenyl)-1H-indazole-4-carboxamide
CID 123321229
N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56599077
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 56597158
6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide
CID 123621923
6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 123667074
N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
CID 3194019
N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide
CID 123584813
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(2-methylprop-2-enyl)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 123974095
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
N-cyclopentyl-N-(2-hydroxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115776850
1-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
CID 1136925
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70750734

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide?
The IUPAC name of 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide (CID 123525200) is 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide?
The canonical SMILES for 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(CBr)cc3[nH]ncc23)C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide?
The InChIKey is IBVFZAWPNBUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c1-13-7-14(2)25-21(28)19(13)12-27(16-5-3-4-6-16)22(29)17-8-15(10-23)9-20-18(17)11-24-26-20/h7-9,11,16H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide?
6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide has a molecular weight of 457.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-N-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 123525200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).