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

C20H26N8O2 — CID 110218815

IUPAC2-(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
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)n1
InChIInChI=1S/C20H26N8O2/c1-12-22-13(2)28(25-12)11-18(29)27-7-5-6-14(10-27)16-8-17-15(19(30)23-16)9-21-20(24-17)26(3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,23,30)
InChIKeyYQEOKCBJHUYACQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.00
Rot. Bonds4

About 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

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 (PubChem CID 110218815) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID110218815
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name2-(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
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)n1
InChIInChI=1S/C20H26N8O2/c1-12-22-13(2)28(25-12)11-18(29)27-7-5-6-14(10-27)16-8-17-15(19(30)23-16)9-21-20(24-17)26(3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,23,30)
InChIKeyYQEOKCBJHUYACQ-UHFFFAOYSA-N
XLogP1.00
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
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-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92596165
2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607320
2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92565937
7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92566063
6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92596179
2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92591024
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]ethanone
CID 110225274
2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681
7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92554056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)n(CC(=O)N2CCCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)n1.
What is the InChIKey of 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?
The InChIKey is YQEOKCBJHUYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-12-22-13(2)28(25-12)11-18(29)27-7-5-6-14(10-27)16-8-17-15(19(30)23-16)9-21-20(24-17)26(3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,23,30).
What are the key properties of 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?
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 has a molecular weight of 410.48 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110218815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).