4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C26H34N6O2 — CID 163231026

IUPAC4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN(C)CCCOc1nc2c(c(N3CCNCC3)n1)CCN(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C26H34N6O2/c1-30(2)11-5-15-34-26-28-23-18-32(24-17-20(33)16-19-6-3-4-7-21(19)24)12-8-22(23)25(29-26)31-13-9-27-10-14-31/h3-4,6-7,16-17,27,33H,5,8-15,18H2,1-2H3
InChIKeyGUUJDERFSRTYAD-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 163231026) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID163231026
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN(C)CCCOc1nc2c(c(N3CCNCC3)n1)CCN(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C26H34N6O2/c1-30(2)11-5-15-34-26-28-23-18-32(24-17-20(33)16-19-6-3-4-7-21(19)24)12-8-22(23)25(29-26)31-13-9-27-10-14-31/h3-4,6-7,16-17,27,33H,5,8-15,18H2,1-2H3
InChIKeyGUUJDERFSRTYAD-UHFFFAOYSA-N
XLogP2.64
TPSA76.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 158489738
4-[4-amino-2-[2-(diethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 160514019
1-[4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;pyrrolidine
CID 145405064
1-[6-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]prop-2-en-1-one;1-[6-[2-[1-(dimethylamino)propan-2-yloxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]prop-2-en-1-one;1-[4-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159095633
4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 157295102
4-[4-(6,6-difluoro-1,4-diazepan-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 170451327
4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide
CID 159562333
2-[2-[(3R)-3-fluoropiperidin-1-yl]ethoxy]-7-[3-(methoxymethoxy)naphthalen-1-yl]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 155124677
1-[3-(hydroxymethyl)-4-[7-(3-hydroxynaphthalen-1-yl)-2-propoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 134335747
4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159537973
2-[(3S)-1-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile
CID 157186733
1-[(2S)-4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one;1-[4-[7-(2-fluoro-5-hydroxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(2-fluoro-6-hydroxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159149572

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 163231026) is 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CN(C)CCCOc1nc2c(c(N3CCNCC3)n1)CCN(c1cc(O)cc3ccccc13)C2.
What is the InChIKey of 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is GUUJDERFSRTYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-30(2)11-5-15-34-26-28-23-18-32(24-17-20(33)16-19-6-3-4-7-21(19)24)12-8-22(23)25(29-26)31-13-9-27-10-14-31/h3-4,6-7,16-17,27,33H,5,8-15,18H2,1-2H3.
What are the key properties of 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 462.60 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 163231026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).