N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride

C28H31ClF2N6O2 — CID 134328578

IUPACN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl
InChIInChI=1S/C28H30F2N6O2.ClH/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19;/h10-16,19,31H,3-9H2,1-2H3,(H,34,37);1H
InChIKeyWSWXJNIYCKVZFK-UHFFFAOYSA-N
MW557.05 g/mol
LogP4.90
Rot. Bonds7

About N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 134328578) has the molecular formula C28H31ClF2N6O2 and a molecular weight of 557.05 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
PubChem CID134328578
Molecular FormulaC28H31ClF2N6O2
Molecular Weight557.05 g/mol
Exact Mass556.22
IUPAC NameN-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl
InChIInChI=1S/C28H30F2N6O2.ClH/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19;/h10-16,19,31H,3-9H2,1-2H3,(H,34,37);1H
InChIKeyWSWXJNIYCKVZFK-UHFFFAOYSA-N
XLogP4.90
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.05
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone
CID 134366006
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 134328612
N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 160618013
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
3-[1-(6-cyclohexylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(7-ethoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
CID 162139858
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[oxetan-3-yl(piperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325353
N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 157192833
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134328476

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride (CID 134328578) is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl.
What is the InChIKey of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?
The InChIKey is WSWXJNIYCKVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O2.ClH/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19;/h10-16,19,31H,3-9H2,1-2H3,(H,34,37);1H.
What are the key properties of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 557.05 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 134328578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).