1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide

C17H16BrN7O — CID 19278407

IUPAC1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cn2ccccc2n1)C(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C17H16BrN7O/c1-22(10-14-11-23-6-3-2-4-16(23)20-14)17(26)15-5-7-24(21-15)12-25-9-13(18)8-19-25/h2-9,11H,10,12H2,1H3
InChIKeyUMMYQCDTKAFTBI-UHFFFAOYSA-N
MW414.27 g/mol
LogP2.27
Rot. Bonds5

About 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide

1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 19278407) has the molecular formula C17H16BrN7O and a molecular weight of 414.27 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide
PubChem CID19278407
Molecular FormulaC17H16BrN7O
Molecular Weight414.27 g/mol
Exact Mass413.06
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cn2ccccc2n1)C(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C17H16BrN7O/c1-22(10-14-11-23-6-3-2-4-16(23)20-14)17(26)15-5-7-24(21-15)12-25-9-13(18)8-19-25/h2-9,11H,10,12H2,1H3
InChIKeyUMMYQCDTKAFTBI-UHFFFAOYSA-N
XLogP2.27
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278648
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19279101
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
CID 97229759
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
2-[ethyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 54900006
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53193511

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide (CID 19278407) is 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide is CN(Cc1cn2ccccc2n1)C(=O)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is UMMYQCDTKAFTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN7O/c1-22(10-14-11-23-6-3-2-4-16(23)20-14)17(26)15-5-7-24(21-15)12-25-9-13(18)8-19-25/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide?
1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 414.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19278407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).