N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane

C16H22ClN5O — CID 153344048

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ncn2ccc(Cl)cc12)c1cn[nH]c1
InChIInChI=1S/C12H10ClN5O.2C2H6/c13-9-1-2-18-7-15-10(11(18)3-9)6-14-12(19)8-4-16-17-5-8;2*1-2/h1-5,7H,6H2,(H,14,19)(H,16,17);2*1-2H3
InChIKeyMJDMVCDMKYFKBK-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.69
Rot. Bonds3

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane (PubChem CID 153344048) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane
PubChem CID153344048
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ncn2ccc(Cl)cc12)c1cn[nH]c1
InChIInChI=1S/C12H10ClN5O.2C2H6/c13-9-1-2-18-7-15-10(11(18)3-9)6-14-12(19)8-4-16-17-5-8;2*1-2/h1-5,7H,6H2,(H,14,19)(H,16,17);2*1-2H3
InChIKeyMJDMVCDMKYFKBK-UHFFFAOYSA-N
XLogP3.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
CID 139498962
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665434
2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869395
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 139487326
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
CID 139488204
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 139488191
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide
CID 139487481
4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane (CID 153344048) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane is CC.CC.O=C(NCc1ncn2ccc(Cl)cc12)c1cn[nH]c1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane?
The InChIKey is MJDMVCDMKYFKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O.2C2H6/c13-9-1-2-18-7-15-10(11(18)3-9)6-14-12(19)8-4-16-17-5-8;2*1-2/h1-5,7H,6H2,(H,14,19)(H,16,17);2*1-2H3.
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane has a molecular weight of 335.84 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1H-pyrazole-4-carboxamide;ethane is sourced from PubChem (CID 153344048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).