6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C28H35N5O3 — CID 18474828

IUPAC6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(CC(O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C28H35N5O3/c1-36-27-10-6-5-9-26(27)32-15-13-30(14-16-32)18-23(34)19-33-21-29-25-11-12-31(20-24(25)28(33)35)17-22-7-3-2-4-8-22/h2-10,21,23,34H,11-20H2,1H3
InChIKeyNDTZNBNFMXWWPK-UHFFFAOYSA-N
MW489.62 g/mol
LogP1.99
Rot. Bonds8

About 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 18474828) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID18474828
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(CC(O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C28H35N5O3/c1-36-27-10-6-5-9-26(27)32-15-13-30(14-16-32)18-23(34)19-33-21-29-25-11-12-31(20-24(25)28(33)35)17-22-7-3-2-4-8-22/h2-10,21,23,34H,11-20H2,1H3
InChIKeyNDTZNBNFMXWWPK-UHFFFAOYSA-N
XLogP1.99
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
CID 1034600
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
6-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 54439021
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307
2-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141242885
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 13304413
1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57391044
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 18474828) is 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COc1ccccc1N1CCN(CC(O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)CC1.
What is the InChIKey of 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NDTZNBNFMXWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-36-27-10-6-5-9-26(27)32-15-13-30(14-16-32)18-23(34)19-33-21-29-25-11-12-31(20-24(25)28(33)35)17-22-7-3-2-4-8-22/h2-10,21,23,34H,11-20H2,1H3.
What are the key properties of 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 489.62 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 18474828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).