1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide

C18H20FN7O — CID 163367793

IUPAC1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CN(c2nc(N)ncc2F)C1)c1cnc2ccccn12
InChIInChI=1S/C18H20FN7O/c1-18(2,13-8-21-14-5-3-4-6-26(13)14)24-16(27)11-9-25(10-11)15-12(19)7-22-17(20)23-15/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H2,20,22,23)
InChIKeyQHJWJGNYZFVIIC-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.33
Rot. Bonds4

About 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide

1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide (PubChem CID 163367793) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
PubChem CID163367793
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CN(c2nc(N)ncc2F)C1)c1cnc2ccccn12
InChIInChI=1S/C18H20FN7O/c1-18(2,13-8-21-14-5-3-4-6-26(13)14)24-16(27)11-9-25(10-11)15-12(19)7-22-17(20)23-15/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H2,20,22,23)
InChIKeyQHJWJGNYZFVIIC-UHFFFAOYSA-N
XLogP1.33
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-fluoro-2-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367855
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide
CID 163368048
N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 163367956
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
CID 171990740
1-[5-chloro-2-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367897
1-[5-chloro-2-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367863
1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 171581153
1-[2-(1,4-diazepan-1-yl)thieno[3,2-d]pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163368002
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide
CID 163367914
3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid
CID 175416008
1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide
CID 163367849

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide (CID 163367793) is 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide is CC(C)(NC(=O)C1CN(c2nc(N)ncc2F)C1)c1cnc2ccccn12.
What is the InChIKey of 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide?
The InChIKey is QHJWJGNYZFVIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-18(2,13-8-21-14-5-3-4-6-26(13)14)24-16(27)11-9-25(10-11)15-12(19)7-22-17(20)23-15/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H2,20,22,23).
What are the key properties of 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide?
1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 163367793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).