1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

C24H27N5O — CID 137349635

IUPAC1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1
InChIInChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
InChIKeyXUTSLHHFLGGLJU-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 137349635) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID137349635
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1
InChIInChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
InChIKeyXUTSLHHFLGGLJU-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
2-(2-cyanopyrimidin-5-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54584537
4-methyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}cyclohexane-1-carboxamide
CID 4244680
N-{2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1,2,3,4-tetrahydroquinolin-1-yl]ethyl}acetamide
CID 23628222
1-(2-Methyl-4-Phenyl-Pyrimidin-5-Yl)-3-Naphthalen-1-Yl-Urea
CID 117968174
[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(4,6-dimethyl-pyrimidin-2-yl)-piperidin-4-yl]-methanone
CID 646291
2-(2-Methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 3235322
N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine
CID 9120377
N-(3-ethylphenyl)-2-(pyrimidin-5-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 25157642
N-(3-ethylphenyl)-2-(pyridin-4-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 25157951
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one
CID 51030732
2-(2-methoxypyrimidin-5-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 51030830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 137349635) is 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1.
What is the InChIKey of 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XUTSLHHFLGGLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3.
What are the key properties of 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 401.51 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 137349635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).