N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide

C20H25N7O2 — CID 163368048

IUPACN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCNc1ncc(OC)c(N2CC(C(=O)NC(C)(C)c3cnc4ccccn34)C2)n1
InChIInChI=1S/C20H25N7O2/c1-20(2,15-10-22-16-7-5-6-8-27(15)16)25-18(28)13-11-26(12-13)17-14(29-4)9-23-19(21-3)24-17/h5-10,13H,11-12H2,1-4H3,(H,25,28)(H,21,23,24)
InChIKeySATCAUIDHCGJRH-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.66
Rot. Bonds6

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

N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 163368048) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID163368048
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCNc1ncc(OC)c(N2CC(C(=O)NC(C)(C)c3cnc4ccccn34)C2)n1
InChIInChI=1S/C20H25N7O2/c1-20(2,15-10-22-16-7-5-6-8-27(15)16)25-18(28)13-11-26(12-13)17-14(29-4)9-23-19(21-3)24-17/h5-10,13H,11-12H2,1-4H3,(H,25,28)(H,21,23,24)
InChIKeySATCAUIDHCGJRH-UHFFFAOYSA-N
XLogP1.66
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367793
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
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-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367897
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
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
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
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
1-[5-chloro-2-(3,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)piperidine-4-carboxamide
CID 171990750
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide (CID 163368048) is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide is CNc1ncc(OC)c(N2CC(C(=O)NC(C)(C)c3cnc4ccccn34)C2)n1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is SATCAUIDHCGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-20(2,15-10-22-16-7-5-6-8-27(15)16)25-18(28)13-11-26(12-13)17-14(29-4)9-23-19(21-3)24-17/h5-10,13H,11-12H2,1-4H3,(H,25,28)(H,21,23,24).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide?
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 163368048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).