(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C24H20F2N4O2 — CID 87050818

IUPAC(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cc(F)cc(F)c3)C2)cc1
InChIInChI=1S/C24H20F2N4O2/c1-32-20-6-4-15(5-7-20)22-28-21-3-2-9-27-23(21)30(22)19-8-10-29(14-19)24(31)16-11-17(25)13-18(26)12-16/h2-7,9,11-13,19H,8,10,14H2,1H3
InChIKeyYVBZAALZGNMIHS-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.47
Rot. Bonds4

About (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050818) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050818
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cc(F)cc(F)c3)C2)cc1
InChIInChI=1S/C24H20F2N4O2/c1-32-20-6-4-15(5-7-20)22-28-21-3-2-9-27-23(21)30(22)19-8-10-29(14-19)24(31)16-11-17(25)13-18(26)12-16/h2-7,9,11-13,19H,8,10,14H2,1H3
InChIKeyYVBZAALZGNMIHS-UHFFFAOYSA-N
XLogP4.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050818) is (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cc(F)cc(F)c3)C2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YVBZAALZGNMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-32-20-6-4-15(5-7-20)22-28-21-3-2-9-27-23(21)30(22)19-8-10-29(14-19)24(31)16-11-17(25)13-18(26)12-16/h2-7,9,11-13,19H,8,10,14H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 434.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).