4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C25H31ClN8O3 — CID 22665589

IUPAC4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2nc(N3CCn4ccnc4C3)ncc2C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C25H31ClN8O3/c1-36-21-3-2-18(14-20(21)26)15-29-23-19(24(35)28-4-6-32-10-12-37-13-11-32)16-30-25(31-23)34-9-8-33-7-5-27-22(33)17-34/h2-3,5,7,14,16H,4,6,8-13,15,17H2,1H3,(H,28,35)(H,29,30,31)
InChIKeyRVNOPBSKJLVSGX-UHFFFAOYSA-N
MW527.03 g/mol
LogP2.03
Rot. Bonds9

About 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 22665589) has the molecular formula C25H31ClN8O3 and a molecular weight of 527.03 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID22665589
Molecular FormulaC25H31ClN8O3
Molecular Weight527.03 g/mol
Exact Mass526.22
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2nc(N3CCn4ccnc4C3)ncc2C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C25H31ClN8O3/c1-36-21-3-2-18(14-20(21)26)15-29-23-19(24(35)28-4-6-32-10-12-37-13-11-32)16-30-25(31-23)34-9-8-33-7-5-27-22(33)17-34/h2-3,5,7,14,16H,4,6,8-13,15,17H2,1H3,(H,28,35)(H,29,30,31)
InChIKeyRVNOPBSKJLVSGX-UHFFFAOYSA-N
XLogP2.03
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.03
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 22665589) is 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is COc1ccc(CNc2nc(N3CCn4ccnc4C3)ncc2C(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is RVNOPBSKJLVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN8O3/c1-36-21-3-2-18(14-20(21)26)15-29-23-19(24(35)28-4-6-32-10-12-37-13-11-32)16-30-25(31-23)34-9-8-33-7-5-27-22(33)17-34/h2-3,5,7,14,16H,4,6,8-13,15,17H2,1H3,(H,28,35)(H,29,30,31).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 527.03 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 22665589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).