2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C27H27N5 — CID 176625629

IUPAC2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(C2(c3ccc(N4CCc5cnc(-n6ccnc6)nc5C4)cc3)CCC2)cc1
InChIInChI=1S/C27H27N5/c1-20-3-5-22(6-4-20)27(12-2-13-27)23-7-9-24(10-8-23)31-15-11-21-17-29-26(30-25(21)18-31)32-16-14-28-19-32/h3-10,14,16-17,19H,2,11-13,15,18H2,1H3
InChIKeyYFMWKWGGJYYCND-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.00
Rot. Bonds4

About 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 176625629) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID176625629
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(C2(c3ccc(N4CCc5cnc(-n6ccnc6)nc5C4)cc3)CCC2)cc1
InChIInChI=1S/C27H27N5/c1-20-3-5-22(6-4-20)27(12-2-13-27)23-7-9-24(10-8-23)31-15-11-21-17-29-26(30-25(21)18-31)32-16-14-28-19-32/h3-10,14,16-17,19H,2,11-13,15,18H2,1H3
InChIKeyYFMWKWGGJYYCND-UHFFFAOYSA-N
XLogP5.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylazetidin-1-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176626034
2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176625965
7-[7-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-oxa-7-azaspiro[4.4]nonane
CID 176626222
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 170573194
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
2-imidazol-1-ylpyrimidine-4,5-diamine
CID 10080896
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium
CID 58534635
2-methyl-6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176625502
(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methanol
CID 83185080
6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176626260
5-fluoro-4-imidazol-1-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383489

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 176625629) is 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccc(C2(c3ccc(N4CCc5cnc(-n6ccnc6)nc5C4)cc3)CCC2)cc1.
What is the InChIKey of 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is YFMWKWGGJYYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5/c1-20-3-5-22(6-4-20)27(12-2-13-27)23-7-9-24(10-8-23)31-15-11-21-17-29-26(30-25(21)18-31)32-16-14-28-19-32/h3-10,14,16-17,19H,2,11-13,15,18H2,1H3.
What are the key properties of 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 421.55 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 176625629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).