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

C22H18F2N6O — CID 155538154

IUPACN-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4cccnc4F)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H18F2N6O/c23-17-6-5-14(27-22(31)30-8-1-2-9-30)11-16(17)20-28-18-10-13(12-26-21(18)29-20)15-4-3-7-25-19(15)24/h3-7,10-12H,1-2,8-9H2,(H,27,31)(H,26,28,29)
InChIKeyNDUMUAYZLGFJCF-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.59
Rot. Bonds3

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

N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 155538154) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID155538154
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC NameN-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4cccnc4F)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H18F2N6O/c23-17-6-5-14(27-22(31)30-8-1-2-9-30)11-16(17)20-28-18-10-13(12-26-21(18)29-20)15-4-3-7-25-19(15)24/h3-7,10-12H,1-2,8-9H2,(H,27,31)(H,26,28,29)
InChIKeyNDUMUAYZLGFJCF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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CID 146273897

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 155538154) is N-[4-fluoro-3-[6-(2-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-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ncc(-c4cccnc4F)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NDUMUAYZLGFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c23-17-6-5-14(27-22(31)30-8-1-2-9-30)11-16(17)20-28-18-10-13(12-26-21(18)29-20)15-4-3-7-25-19(15)24/h3-7,10-12H,1-2,8-9H2,(H,27,31)(H,26,28,29).
What are the key properties of N-[4-fluoro-3-[6-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[6-(2-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-(2-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155538154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).