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

C23H29FN8O — CID 163367855

IUPAC1-[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
SMILESC[C@@H]1CN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1
InChIInChI=1S/C23H29FN8O/c1-15-12-30(9-7-25-15)22-27-10-17(24)20(28-22)31-13-16(14-31)21(33)29-23(2,3)18-11-26-19-6-4-5-8-32(18)19/h4-6,8,10-11,15-16,25H,7,9,12-14H2,1-3H3,(H,29,33)/t15-/m1/s1
InChIKeyPFTNCZDWXYXOFA-OAHLLOKOSA-N
MW452.54 g/mol
LogP1.55
Rot. Bonds5

About 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

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 (PubChem CID 163367855) has the molecular formula C23H29FN8O and a molecular weight of 452.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID163367855
Molecular FormulaC23H29FN8O
Molecular Weight452.54 g/mol
Exact Mass452.24
IUPAC Name1-[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
SMILESC[C@@H]1CN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1
InChIInChI=1S/C23H29FN8O/c1-15-12-30(9-7-25-15)22-27-10-17(24)20(28-22)31-13-16(14-31)21(33)29-23(2,3)18-11-26-19-6-4-5-8-32(18)19/h4-6,8,10-11,15-16,25H,7,9,12-14H2,1-3H3,(H,29,33)/t15-/m1/s1
InChIKeyPFTNCZDWXYXOFA-OAHLLOKOSA-N
XLogP1.55
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
Cyclobutyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746383
4-[7-tert-Butylaminomethyl)-2-(4-fluorophenyl)imidazo-[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887879
1-(azetidin-1-yl)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanone
CID 44431993
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995
4-(7-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-neopentylpyrimidin-2-amine
CID 44432003
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-isopropylpyrimidin-2-amine
CID 44432008
4-(7-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-isopropylpyrimidin-2-amine
CID 44432009
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
Cyclopropanecarboxylic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1.
What is the InChIKey of 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?
The InChIKey is PFTNCZDWXYXOFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29FN8O/c1-15-12-30(9-7-25-15)22-27-10-17(24)20(28-22)31-13-16(14-31)21(33)29-23(2,3)18-11-26-19-6-4-5-8-32(18)19/h4-6,8,10-11,15-16,25H,7,9,12-14H2,1-3H3,(H,29,33)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 452.54 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163367855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).