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

C24H31ClN8O — CID 163367897

IUPAC1-[5-chloro-2-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
SMILESCCC1CN(c2ncc(Cl)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1
InChIInChI=1S/C24H31ClN8O/c1-4-17-15-31(10-8-26-17)23-28-11-18(25)21(29-23)32-13-16(14-32)22(34)30-24(2,3)19-12-27-20-7-5-6-9-33(19)20/h5-7,9,11-12,16-17,26H,4,8,10,13-15H2,1-3H3,(H,30,34)
InChIKeyBFMDECQCPGTMKI-UHFFFAOYSA-N
MW483.02 g/mol
LogP2.45
Rot. Bonds6

About 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

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 (PubChem CID 163367897) has the molecular formula C24H31ClN8O and a molecular weight of 483.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[5-chloro-2-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
PubChem CID163367897
Molecular FormulaC24H31ClN8O
Molecular Weight483.02 g/mol
Exact Mass482.23
IUPAC Name1-[5-chloro-2-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
SMILESCCC1CN(c2ncc(Cl)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1
InChIInChI=1S/C24H31ClN8O/c1-4-17-15-31(10-8-26-17)23-28-11-18(25)21(29-23)32-13-16(14-32)22(34)30-24(2,3)19-12-27-20-7-5-6-9-33(19)20/h5-7,9,11-12,16-17,26H,4,8,10,13-15H2,1-3H3,(H,30,34)
InChIKeyBFMDECQCPGTMKI-UHFFFAOYSA-N
XLogP2.45
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CN(c2ncc(Cl)c(N3CC(C(=O)NC(C)(C)c4cnc5ccccn45)C3)n2)CCN1.
What is the InChIKey of 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?
The InChIKey is BFMDECQCPGTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN8O/c1-4-17-15-31(10-8-26-17)23-28-11-18(25)21(29-23)32-13-16(14-32)22(34)30-24(2,3)19-12-27-20-7-5-6-9-33(19)20/h5-7,9,11-12,16-17,26H,4,8,10,13-15H2,1-3H3,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 483.02 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163367897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).