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

C19H19BrN4O2 — CID 54596218

IUPAC6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-10-5-11(2)23-19(26)15(10)8-21-18(25)14-6-12(20)7-17-16(14)9-22-24(17)13-3-4-13/h5-7,9,13H,3-4,8H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyBVOCDORKYUBPEM-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.37
Rot. Bonds4

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

6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (PubChem CID 54596218) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
PubChem CID54596218
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-10-5-11(2)23-19(26)15(10)8-21-18(25)14-6-12(20)7-17-16(14)9-22-24(17)13-3-4-13/h5-7,9,13H,3-4,8H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyBVOCDORKYUBPEM-UHFFFAOYSA-N
XLogP3.37
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(1-methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide
CID 67465326
6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide
CID 132517141
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 71455835
6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155547180
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
CID 155547840
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide
CID 155547915
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155555991
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperidin-4-yl-1-propan-2-ylindazole-4-carboxamide
CID 155560721
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-piperazin-1-yl-1-propan-2-ylindazole-4-carboxamide
CID 155563932
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 68351101
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide
CID 77464467
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide
CID 127029641

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide (CID 54596218) is 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C2CC2)c(=O)[nH]1.
What is the InChIKey of 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The InChIKey is BVOCDORKYUBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-10-5-11(2)23-19(26)15(10)8-21-18(25)14-6-12(20)7-17-16(14)9-22-24(17)13-3-4-13/h5-7,9,13H,3-4,8H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide?
6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 54596218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).