(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

C20H28N6O — CID 92562456

IUPAC(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
SMILESCc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1
InChIInChI=1S/C20H28N6O/c1-14(13-26-10-4-15(2)24-26)20(27)25-8-5-16(6-9-25)19-22-12-17-11-21-7-3-18(17)23-19/h4,10,12,14,16,21H,3,5-9,11,13H2,1-2H3/t14-/m1/s1
InChIKeyOUDLBDZOMHWUNX-CQSZACIVSA-N
MW368.49 g/mol
LogP1.67
Rot. Bonds4

About (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

(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 (PubChem CID 92562456) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92562456
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(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
SMILESCc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1
InChIInChI=1S/C20H28N6O/c1-14(13-26-10-4-15(2)24-26)20(27)25-8-5-16(6-9-25)19-22-12-17-11-21-7-3-18(17)23-19/h4,10,12,14,16,21H,3,5-9,11,13H2,1-2H3/t14-/m1/s1
InChIKeyOUDLBDZOMHWUNX-CQSZACIVSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1.
What is the InChIKey of (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?
The InChIKey is OUDLBDZOMHWUNX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14(13-26-10-4-15(2)24-26)20(27)25-8-5-16(6-9-25)19-22-12-17-11-21-7-3-18(17)23-19/h4,10,12,14,16,21H,3,5-9,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 368.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92562456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).