(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C21H30N6O — CID 92562486

IUPAC(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(C[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1
InChIInChI=1S/C21H30N6O/c1-15(13-27-11-4-16(2)24-27)21(28)26-10-7-19-18(14-26)12-22-20(23-19)17-5-8-25(3)9-6-17/h4,11-12,15,17H,5-10,13-14H2,1-3H3/t15-/m1/s1
InChIKeyLBYOUHWFFBIUEP-OAHLLOKOSA-N
MW382.51 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 92562486) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID92562486
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(C[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1
InChIInChI=1S/C21H30N6O/c1-15(13-27-11-4-16(2)24-27)21(28)26-10-7-19-18(14-26)12-22-20(23-19)17-5-8-25(3)9-6-17/h4,11-12,15,17H,5-10,13-14H2,1-3H3/t15-/m1/s1
InChIKeyLBYOUHWFFBIUEP-OAHLLOKOSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-methyl-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 92562477
(2R)-2-methyl-3-(3-methylpyrazol-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92562456
(2R)-1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-one
CID 92562466
2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 110241789
1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
(3R)-3-(3,5-dimethylpyrazol-1-yl)-1-[2-[(3S)-1-methylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92602964
4-(azepan-1-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92607989
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
3-(4-chlorophenyl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92607994
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92588116
1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92581997
1-[4-[6-(2-phenylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110241796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 92562486) is (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1.
What is the InChIKey of (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is LBYOUHWFFBIUEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(13-27-11-4-16(2)24-27)21(28)26-10-7-19-18(14-26)12-22-20(23-19)17-5-8-25(3)9-6-17/h4,11-12,15,17H,5-10,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 92562486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).