5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

C20H18FN5O — CID 146485470

IUPAC5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H18FN5O/c21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24)
InChIKeyWOXLLOVODLWBEK-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.24
Rot. Bonds5

About 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (PubChem CID 146485470) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
PubChem CID146485470
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H18FN5O/c21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24)
InChIKeyWOXLLOVODLWBEK-UHFFFAOYSA-N
XLogP3.24
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (CID 146485470) is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1.
What is the InChIKey of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The InChIKey is WOXLLOVODLWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-14-8-3-12(4-9-14)5-10-15-17(13-6-7-13)25-26(19(15)27)20-23-16-2-1-11-22-18(16)24-20/h1-4,8-9,11,13,25H,5-7,10H2,(H,22,23,24).
What are the key properties of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one has a molecular weight of 363.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 146485470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).