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

C22H28N8O2 — CID 92594985

IUPAC2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1
InChIInChI=1S/C22H28N8O2/c1-13-15(10-23-21(25-13)28(2)3)20(32)30-8-6-7-14(12-30)17-9-18-16(19(31)26-17)11-24-22(27-18)29(4)5/h9-11,14H,6-8,12H2,1-5H3,(H,26,31)/t14-/m1/s1
InChIKeyACGLMOCARDSHAA-CQSZACIVSA-N
MW436.52 g/mol
LogP1.57
Rot. Bonds4

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

2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92594985) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92594985
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1
InChIInChI=1S/C22H28N8O2/c1-13-15(10-23-21(25-13)28(2)3)20(32)30-8-6-7-14(12-30)17-9-18-16(19(31)26-17)11-24-22(27-18)29(4)5/h9-11,14H,6-8,12H2,1-5H3,(H,26,31)/t14-/m1/s1
InChIKeyACGLMOCARDSHAA-CQSZACIVSA-N
XLogP1.57
TPSA111.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(dimethylamino)-7-[(3S)-1-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
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-[(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
3-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97205189
7-[1-(3-cyclopropyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-2-(dimethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92566063
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
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)-4-methylpyrimidin-5-yl]-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97190483
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814462
7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 110225052

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92594985) is 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1.
What is the InChIKey of 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ACGLMOCARDSHAA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-13-15(10-23-21(25-13)28(2)3)20(32)30-8-6-7-14(12-30)17-9-18-16(19(31)26-17)11-24-22(27-18)29(4)5/h9-11,14H,6-8,12H2,1-5H3,(H,26,31)/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 436.52 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92594985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).