5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C20H29N5O — CID 126941342

IUPAC5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3cn4c(n3)CCCC4)CC2)c(=O)c1C
InChIInChI=1S/C20H29N5O/c1-15-16(2)21-14-25(20(15)26)11-17-6-9-23(10-7-17)12-18-13-24-8-4-3-5-19(24)22-18/h13-14,17H,3-12H2,1-2H3
InChIKeyXPFBGLDEVXZCQN-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.31
Rot. Bonds4

About 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941342) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941342
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3cn4c(n3)CCCC4)CC2)c(=O)c1C
InChIInChI=1S/C20H29N5O/c1-15-16(2)21-14-25(20(15)26)11-17-6-9-23(10-7-17)12-18-13-24-8-4-3-5-19(24)22-18/h13-14,17H,3-12H2,1-2H3
InChIKeyXPFBGLDEVXZCQN-UHFFFAOYSA-N
XLogP2.31
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942741
3-[[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941294
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
5,6-dimethyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941334
5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941297
5,6-dimethyl-3-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941307
5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941276
6-pyrazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864509
3-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941323
5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941481
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941192

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941342) is 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(Cc3cn4c(n3)CCCC4)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XPFBGLDEVXZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-16(2)21-14-25(20(15)26)11-17-6-9-23(10-7-17)12-18-13-24-8-4-3-5-19(24)22-18/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 355.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).