1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C23H27N7O — CID 130384548

IUPAC1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5cccnc5n4)CC3)ncc2C1
InChIInChI=1S/C23H27N7O/c1-16(20-6-5-18-4-3-8-24-22(18)26-20)28-10-12-29(13-11-28)23-25-14-19-15-30(17(2)31)9-7-21(19)27-23/h3-6,8,14,16H,7,9-13,15H2,1-2H3
InChIKeyKHVNMBCCSXYGEG-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 130384548) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID130384548
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5cccnc5n4)CC3)ncc2C1
InChIInChI=1S/C23H27N7O/c1-16(20-6-5-18-4-3-8-24-22(18)26-20)28-10-12-29(13-11-28)23-25-14-19-15-30(17(2)31)9-7-21(19)27-23/h3-6,8,14,16H,7,9-13,15H2,1-2H3
InChIKeyKHVNMBCCSXYGEG-UHFFFAOYSA-N
XLogP2.21
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

2-[4-[1-(1,4-diazecin-7-yl)ethyl]piperazin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 170048864
2-[4-(1-quinolin-7-ylethyl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6-oxide
CID 142414069
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine
CID 174092442
2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 166824537
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethoxyphenyl)methanone
CID 163350715
1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46329752
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 130384548) is 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5cccnc5n4)CC3)ncc2C1.
What is the InChIKey of 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is KHVNMBCCSXYGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16(20-6-5-18-4-3-8-24-22(18)26-20)28-10-12-29(13-11-28)23-25-14-19-15-30(17(2)31)9-7-21(19)27-23/h3-6,8,14,16H,7,9-13,15H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 417.52 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(1,8-naphthyridin-2-yl)ethyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 130384548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).