N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

C22H20FN5O2 — CID 87050939

IUPACN-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H20FN5O2/c23-16-7-5-15(6-8-16)13-25-22(29)27-11-9-17(14-27)28-20-18(3-1-10-24-20)26-21(28)19-4-2-12-30-19/h1-8,10,12,17H,9,11,13-14H2,(H,25,29)
InChIKeyCXIZIMQMHHIBLB-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050939) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050939
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H20FN5O2/c23-16-7-5-15(6-8-16)13-25-22(29)27-11-9-17(14-27)28-20-18(3-1-10-24-20)26-21(28)19-4-2-12-30-19/h1-8,10,12,17H,9,11,13-14H2,(H,25,29)
InChIKeyCXIZIMQMHHIBLB-UHFFFAOYSA-N
XLogP3.99
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050939) is N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is CXIZIMQMHHIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-16-7-5-15(6-8-16)13-25-22(29)27-11-9-17(14-27)28-20-18(3-1-10-24-20)26-21(28)19-4-2-12-30-19/h1-8,10,12,17H,9,11,13-14H2,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).