8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

C17H16ClFN4O3 — CID 143830526

IUPAC8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)cc(Cl)c3cncn23)c(F)c1
InChIInChI=1S/C17H16ClFN4O3/c1-10-2-3-14(13(19)6-10)21-16-11(17(25)22-26-5-4-24)7-12(18)15-8-20-9-23(15)16/h2-3,6-9,21,24H,4-5H2,1H3,(H,22,25)
InChIKeyRPKHDVGHTDWOOZ-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.83
Rot. Bonds6

About 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 143830526) has the molecular formula C17H16ClFN4O3 and a molecular weight of 378.79 g/mol. Its IUPAC name is 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID143830526
Molecular FormulaC17H16ClFN4O3
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)cc(Cl)c3cncn23)c(F)c1
InChIInChI=1S/C17H16ClFN4O3/c1-10-2-3-14(13(19)6-10)21-16-11(17(25)22-26-5-4-24)7-12(18)15-8-20-9-23(15)16/h2-3,6-9,21,24H,4-5H2,1H3,(H,22,25)
InChIKeyRPKHDVGHTDWOOZ-UHFFFAOYSA-N
XLogP2.83
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550
6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826352
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
CID 143830516
7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide
CID 88936274
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
CID 129073413
6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 166940184
5-acetyl-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrrole-3-carboxamide;ethane
CID 143666998
8-[(2-amino-3-fluoro-4-pyridinyl)methyl]-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 163538976
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide (CID 143830526) is 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide is Cc1ccc(Nc2c(C(=O)NOCCO)cc(Cl)c3cncn23)c(F)c1.
What is the InChIKey of 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is RPKHDVGHTDWOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O3/c1-10-2-3-14(13(19)6-10)21-16-11(17(25)22-26-5-4-24)7-12(18)15-8-20-9-23(15)16/h2-3,6-9,21,24H,4-5H2,1H3,(H,22,25).
What are the key properties of 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 378.79 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 143830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).