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

C23H30N6O2 — CID 137266362

IUPAC2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CNNC2c2ccccc2)CC3)C1
InChIInChI=1S/C23H30N6O2/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/h2-4,7-8,15,17,20,24,27H,5-6,9-14H2,1H3,(H,25,26,30)
InChIKeyFJQPUSMTXZUSRH-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.36
Rot. Bonds3

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

2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137266362) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137266362
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CNNC2c2ccccc2)CC3)C1
InChIInChI=1S/C23H30N6O2/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/h2-4,7-8,15,17,20,24,27H,5-6,9-14H2,1H3,(H,25,26,30)
InChIKeyFJQPUSMTXZUSRH-UHFFFAOYSA-N
XLogP1.36
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[(2-hydroxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674454
7-(3-phenylpyrazolidine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137267526
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
6-[[4-(dimethylamino)phenyl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058276
2-[(3S)-3-methylpiperidin-1-yl]-6-[(4-morpholin-4-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136819821
2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135748829
2-[(3R)-3-methylpiperidin-1-yl]-7-[(4-oxochromen-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798366
7-(1H-indol-3-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135963480
2-benzyl-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135481446
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109259645
2-[(2R)-1-benzoylpiperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682002

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137266362) is 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-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-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CNNC2c2ccccc2)CC3)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FJQPUSMTXZUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/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/h2-4,7-8,15,17,20,24,27H,5-6,9-14H2,1H3,(H,25,26,30).
What are the key properties of 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 422.53 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137266362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).