7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C22H27N7O2 — CID 92566063

IUPAC7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cc(C5CC5)nn4C)CC3)cc2n1
InChIInChI=1S/C22H27N7O2/c1-27(2)22-23-12-15-18(25-22)10-16(24-20(15)30)14-6-8-29(9-7-14)21(31)19-11-17(13-4-5-13)26-28(19)3/h10-14H,4-9H2,1-3H3,(H,24,30)
InChIKeyXZMPSIXQYGKBKL-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.01
Rot. Bonds4

About 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92566063) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92566063
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cc(C5CC5)nn4C)CC3)cc2n1
InChIInChI=1S/C22H27N7O2/c1-27(2)22-23-12-15-18(25-22)10-16(24-20(15)30)14-6-8-29(9-7-14)21(31)19-11-17(13-4-5-13)26-28(19)3/h10-14H,4-9H2,1-3H3,(H,24,30)
InChIKeyXZMPSIXQYGKBKL-UHFFFAOYSA-N
XLogP2.01
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92596165
2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92565937
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
2-(dimethylamino)-7-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 110218815
2-(dimethylamino)-7-[(3S)-1-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92591024
2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607315
2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607320
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56711368
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92566063) is 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cc(C5CC5)nn4C)CC3)cc2n1.
What is the InChIKey of 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XZMPSIXQYGKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-27(2)22-23-12-15-18(25-22)10-16(24-20(15)30)14-6-8-29(9-7-14)21(31)19-11-17(13-4-5-13)26-28(19)3/h10-14H,4-9H2,1-3H3,(H,24,30).
What are the key properties of 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 421.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92566063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).