N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

C22H18F2N6O — CID 155522933

IUPACN-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4cncc(F)c4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H18F2N6O/c23-15-7-13(10-25-12-15)14-8-19-21(26-11-14)29-20(28-19)17-9-16(3-4-18(17)24)27-22(31)30-5-1-2-6-30/h3-4,7-12H,1-2,5-6H2,(H,27,31)(H,26,28,29)
InChIKeyKWNIZMLTDGAJSC-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.59
Rot. Bonds3

About N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 155522933) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID155522933
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC NameN-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4cncc(F)c4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H18F2N6O/c23-15-7-13(10-25-12-15)14-8-19-21(26-11-14)29-20(28-19)17-9-16(3-4-18(17)24)27-22(31)30-5-1-2-6-30/h3-4,7-12H,1-2,5-6H2,(H,27,31)(H,26,28,29)
InChIKeyKWNIZMLTDGAJSC-UHFFFAOYSA-N
XLogP4.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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CID 146273897

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 155522933) is N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ncc(-c4cncc(F)c4)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KWNIZMLTDGAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c23-15-7-13(10-25-12-15)14-8-19-21(26-11-14)29-20(28-19)17-9-16(3-4-18(17)24)27-22(31)30-5-1-2-6-30/h3-4,7-12H,1-2,5-6H2,(H,27,31)(H,26,28,29).
What are the key properties of N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155522933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).