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

C22H29N7O2 — CID 92596165

IUPAC2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nn(CC(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)c(C)c1C
InChIInChI=1S/C22H29N7O2/c1-13-14(2)26-29(15(13)3)12-20(30)28-8-6-16(7-9-28)18-10-19-17(21(31)24-18)11-23-22(25-19)27(4)5/h10-11,16H,6-9,12H2,1-5H3,(H,24,31)
InChIKeyRLUDIFYXOLSUDG-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.91
Rot. Bonds4

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

2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92596165) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92596165
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nn(CC(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)c(C)c1C
InChIInChI=1S/C22H29N7O2/c1-13-14(2)26-29(15(13)3)12-20(30)28-8-6-16(7-9-28)18-10-19-17(21(31)24-18)11-23-22(25-19)27(4)5/h10-11,16H,6-9,12H2,1-5H3,(H,24,31)
InChIKeyRLUDIFYXOLSUDG-UHFFFAOYSA-N
XLogP1.91
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[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
7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92566063
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-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
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-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607320
6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92596179
1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 95801688
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 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) is 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nn(CC(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)c(C)c1C.
What is the InChIKey of 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is RLUDIFYXOLSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-13-14(2)26-29(15(13)3)12-20(30)28-8-6-16(7-9-28)18-10-19-17(21(31)24-18)11-23-22(25-19)27(4)5/h10-11,16H,6-9,12H2,1-5H3,(H,24,31).
What are the key properties of 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 423.52 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92596165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).