N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C19H19FN6O — CID 90687573

IUPACN-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCCN1CC=NC1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C19H19FN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9H,1,7,10-12H2,(H,23,27)(H,22,24,25)
InChIKeyKKBXZIHCXFVQCD-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.23
Rot. Bonds6

About N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 90687573) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID90687573
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCCN1CC=NC1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C19H19FN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9H,1,7,10-12H2,(H,23,27)(H,22,24,25)
InChIKeyKKBXZIHCXFVQCD-UHFFFAOYSA-N
XLogP2.23
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 51033482

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 90687573) is N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NCCCN1CC=NC1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is KKBXZIHCXFVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-4-2-13(3-5-14)17-24-16-15(6-8-22-18(16)25-17)19(27)23-7-1-10-26-11-9-21-12-26/h2-6,8-9H,1,7,10-12H2,(H,23,27)(H,22,24,25).
What are the key properties of N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 90687573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).