N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C23H23FN4O2 — CID 122462780

IUPACN-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1
InChIInChI=1S/C23H23FN4O2/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29)
InChIKeyNXBGWSJNJXWEAL-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.97
Rot. Bonds4

About N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 122462780) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID122462780
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1
InChIInChI=1S/C23H23FN4O2/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29)
InChIKeyNXBGWSJNJXWEAL-UHFFFAOYSA-N
XLogP3.97
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(cyanomethyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 122462783
N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 145128231
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-[5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625289
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
N-[2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42881695
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 54771546
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 122462780) is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1.
What is the InChIKey of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is NXBGWSJNJXWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122462780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).