N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide

C25H25BrN4O2 — CID 54596554

IUPACN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide
SMILESCc1cc(Cc2ccccc2)c(CNC(=O)c2cc(Br)cc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C25H25BrN4O2/c1-15(2)30-23-12-19(26)11-20(22(23)14-28-30)24(31)27-13-21-18(9-16(3)29-25(21)32)10-17-7-5-4-6-8-17/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyQBWCVZLUGYCROW-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.90
Rot. Bonds6

About N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide

N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide (PubChem CID 54596554) has the molecular formula C25H25BrN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide
PubChem CID54596554
Molecular FormulaC25H25BrN4O2
Molecular Weight493.41 g/mol
Exact Mass492.12
IUPAC NameN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide
SMILESCc1cc(Cc2ccccc2)c(CNC(=O)c2cc(Br)cc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C25H25BrN4O2/c1-15(2)30-23-12-19(26)11-20(22(23)14-28-30)24(31)27-13-21-18(9-16(3)29-25(21)32)10-17-7-5-4-6-8-17/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyQBWCVZLUGYCROW-UHFFFAOYSA-N
XLogP4.90
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide (CID 54596554) is N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide is Cc1cc(Cc2ccccc2)c(CNC(=O)c2cc(Br)cc3c2cnn3C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is QBWCVZLUGYCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O2/c1-15(2)30-23-12-19(26)11-20(22(23)14-28-30)24(31)27-13-21-18(9-16(3)29-25(21)32)10-17-7-5-4-6-8-17/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,31)(H,29,32).
What are the key properties of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide?
N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-bromo-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 54596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).