N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide

C26H24FN7O — CID 169033302

IUPACN-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-n2c(-c3ccc(F)cc3)nc3ccc(N4CC5CC4CN5)nc32)ccn1)C1CC1
InChIInChI=1S/C26H24FN7O/c27-17-5-3-15(4-6-17)24-30-21-7-8-23(33-14-18-11-20(33)13-29-18)32-25(21)34(24)19-9-10-28-22(12-19)31-26(35)16-1-2-16/h3-10,12,16,18,20,29H,1-2,11,13-14H2,(H,28,31,35)
InChIKeyQHWIGZREIADUSK-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 169033302) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID169033302
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC NameN-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-n2c(-c3ccc(F)cc3)nc3ccc(N4CC5CC4CN5)nc32)ccn1)C1CC1
InChIInChI=1S/C26H24FN7O/c27-17-5-3-15(4-6-17)24-30-21-7-8-23(33-14-18-11-20(33)13-29-18)32-25(21)34(24)19-9-10-28-22(12-19)31-26(35)16-1-2-16/h3-10,12,16,18,20,29H,1-2,11,13-14H2,(H,28,31,35)
InChIKeyQHWIGZREIADUSK-UHFFFAOYSA-N
XLogP3.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[2-(4-fluorophenyl)-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]benzamide
CID 170220642
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(4-fluorophenyl)-1-pyrimidin-4-ylbenzimidazole
CID 169033394
5-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033419
2-(5-chloro-2-fluorophenyl)-5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 169033345
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138586787
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
(E)-but-2-enedioic acid;2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-nitroquinoline
CID 161274784
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
4-[[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 66836565
(1R,4R)-5-[2-(2,4-difluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169033381
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 169033302) is N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-n2c(-c3ccc(F)cc3)nc3ccc(N4CC5CC4CN5)nc32)ccn1)C1CC1.
What is the InChIKey of N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QHWIGZREIADUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c27-17-5-3-15(4-6-17)24-30-21-7-8-23(33-14-18-11-20(33)13-29-18)32-25(21)34(24)19-9-10-28-22(12-19)31-26(35)16-1-2-16/h3-10,12,16,18,20,29H,1-2,11,13-14H2,(H,28,31,35).
What are the key properties of N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 469.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 169033302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).