2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H26N6O2 — CID 136907828

IUPAC2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cn[nH]c2-c2ccccc2)CC3)C1
InChIInChI=1S/C23H26N6O2/c1-15-6-5-10-29(13-15)23-25-19-9-11-28(14-18(19)21(30)26-23)22(31)17-12-24-27-20(17)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3,(H,24,27)(H,25,26,30)
InChIKeyBSWRGUTTZOHQDH-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136907828) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136907828
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cn[nH]c2-c2ccccc2)CC3)C1
InChIInChI=1S/C23H26N6O2/c1-15-6-5-10-29(13-15)23-25-19-9-11-28(14-18(19)21(30)26-23)22(31)17-12-24-27-20(17)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3,(H,24,27)(H,25,26,30)
InChIKeyBSWRGUTTZOHQDH-UHFFFAOYSA-N
XLogP2.59
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137266362
6-[(2-hydroxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674454
6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136907823
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(2R)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921302
(2S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136462
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 95282732
6-[[4-(dimethylamino)phenyl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058276
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136907828) is 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cn[nH]c2-c2ccccc2)CC3)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BSWRGUTTZOHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-6-5-10-29(13-15)23-25-19-9-11-28(14-18(19)21(30)26-23)22(31)17-12-24-27-20(17)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3,(H,24,27)(H,25,26,30).
What are the key properties of 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136907828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).