[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C22H18FN5O — CID 53186835

IUPAC[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C22H18FN5O/c23-17-5-3-15(4-6-17)20-26-19-2-1-10-25-21(19)28(20)18-9-13-27(14-18)22(29)16-7-11-24-12-8-16/h1-8,10-12,18H,9,13-14H2
InChIKeyNQWPTUMPDCNADV-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.72
Rot. Bonds3

About [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53186835) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53186835
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C22H18FN5O/c23-17-5-3-15(4-6-17)20-26-19-2-1-10-25-21(19)28(20)18-9-13-27(14-18)22(29)16-7-11-24-12-8-16/h1-8,10-12,18H,9,13-14H2
InChIKeyNQWPTUMPDCNADV-UHFFFAOYSA-N
XLogP3.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 53186835) is [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is NQWPTUMPDCNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-5-3-15(4-6-17)20-26-19-2-1-10-25-21(19)28(20)18-9-13-27(14-18)22(29)16-7-11-24-12-8-16/h1-8,10-12,18H,9,13-14H2.
What are the key properties of [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 387.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53186835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).