4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide

C27H36N8O3 — CID 69348008

IUPAC4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C27H36N8O3/c1-5-10-29-27(37)33-13-14-35(24-15-19(2)30-26(32-24)34-12-11-28-18-34)22(17-33)16-25(36)31-20(3)21-6-8-23(38-4)9-7-21/h6-9,11-12,15,18,20,22H,5,10,13-14,16-17H2,1-4H3,(H,29,37)(H,31,36)
InChIKeyKAKFTOYDRIBVKI-UHFFFAOYSA-N
MW520.64 g/mol
LogP2.86
Rot. Bonds9

About 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide

4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide (PubChem CID 69348008) has the molecular formula C27H36N8O3 and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
PubChem CID69348008
Molecular FormulaC27H36N8O3
Molecular Weight520.64 g/mol
Exact Mass520.29
IUPAC Name4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C27H36N8O3/c1-5-10-29-27(37)33-13-14-35(24-15-19(2)30-26(32-24)34-12-11-28-18-34)22(17-33)16-25(36)31-20(3)21-6-8-23(38-4)9-7-21/h6-9,11-12,15,18,20,22H,5,10,13-14,16-17H2,1-4H3,(H,29,37)(H,31,36)
InChIKeyKAKFTOYDRIBVKI-UHFFFAOYSA-N
XLogP2.86
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-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-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide (CID 69348008) is 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc(OC)cc2)C1.
What is the InChIKey of 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is KAKFTOYDRIBVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O3/c1-5-10-29-27(37)33-13-14-35(24-15-19(2)30-26(32-24)34-12-11-28-18-34)22(17-33)16-25(36)31-20(3)21-6-8-23(38-4)9-7-21/h6-9,11-12,15,18,20,22H,5,10,13-14,16-17H2,1-4H3,(H,29,37)(H,31,36).
What are the key properties of 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 69348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).