(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine

C44H65BrN16O2 — CID 159269284

IUPAC(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCN(C)CC3)nc2N1C1CCCC1.CN1CCNCC1
InChIInChI=1S/C22H32N8O.C17H21BrN6O.C5H12N2/c1-4-17-20(31)27(3)18-15-24-21(25-19(18)30(17)16-7-5-6-8-16)29-10-9-23-22(29)28-13-11-26(2)12-14-28;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;1-7-4-2-6-3-5-7/h9-10,15-17H,4-8,11-14H2,1-3H3;8-12H,3-7H2,1-2H3;6H,2-5H2,1H3/t17-;12-;/m11./s1
InChIKeyKXMPFQBMJPWWII-VHVFSJPRSA-N
MW930.02 g/mol
LogP4.37
Rot. Bonds7

About (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine

(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine (PubChem CID 159269284) has the molecular formula C44H65BrN16O2 and a molecular weight of 930.02 g/mol. Its IUPAC name is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine.

Molecular Properties

Compound Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine
PubChem CID159269284
Molecular FormulaC44H65BrN16O2
Molecular Weight930.02 g/mol
Exact Mass928.47
IUPAC Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCN(C)CC3)nc2N1C1CCCC1.CN1CCNCC1
InChIInChI=1S/C22H32N8O.C17H21BrN6O.C5H12N2/c1-4-17-20(31)27(3)18-15-24-21(25-19(18)30(17)16-7-5-6-8-16)29-10-9-23-22(29)28-13-11-26(2)12-14-28;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;1-7-4-2-6-3-5-7/h9-10,15-17H,4-8,11-14H2,1-3H3;8-12H,3-7H2,1-2H3;6H,2-5H2,1H3/t17-;12-;/m11./s1
InChIKeyKXMPFQBMJPWWII-VHVFSJPRSA-N
XLogP4.37
TPSA156.05 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.02
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine 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 (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine?
The IUPAC name of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine (CID 159269284) is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine.
What is the SMILES notation for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine?
The canonical SMILES for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCN(C)CC3)nc2N1C1CCCC1.CN1CCNCC1.
What is the InChIKey of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine?
The InChIKey is KXMPFQBMJPWWII-VHVFSJPRSA-N. The full InChI is InChI=1S/C22H32N8O.C17H21BrN6O.C5H12N2/c1-4-17-20(31)27(3)18-15-24-21(25-19(18)30(17)16-7-5-6-8-16)29-10-9-23-22(29)28-13-11-26(2)12-14-28;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;1-7-4-2-6-3-5-7/h9-10,15-17H,4-8,11-14H2,1-3H3;8-12H,3-7H2,1-2H3;6H,2-5H2,1H3/t17-;12-;/m11./s1.
What are the key properties of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine?
(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine has a molecular weight of 930.02 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(4-methylpiperazin-1-yl)imidazol-1-yl]-7H-pteridin-6-one;1-methylpiperazine is sourced from PubChem (CID 159269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).