3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C21H31N5O2 — CID 126942204

IUPAC3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(CC3OCCc4c3cnn4C)CC2)cn1
InChIInChI=1S/C21H31N5O2/c1-15(2)18-10-21(27)26(14-22-18)12-16-4-7-25(8-5-16)13-20-17-11-23-24(3)19(17)6-9-28-20/h10-11,14-16,20H,4-9,12-13H2,1-3H3
InChIKeyXVPIJGXQMRWGCI-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.13
Rot. Bonds5

About 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942204) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942204
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(CC3OCCc4c3cnn4C)CC2)cn1
InChIInChI=1S/C21H31N5O2/c1-15(2)18-10-21(27)26(14-22-18)12-16-4-7-25(8-5-16)13-20-17-11-23-24(3)19(17)6-9-28-20/h10-11,14-16,20H,4-9,12-13H2,1-3H3
InChIKeyXVPIJGXQMRWGCI-UHFFFAOYSA-N
XLogP2.13
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
1,5-dimethyl-6-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126942431
3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942298
6-propan-2-yl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942129
3-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942206
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942181
3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942014
4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888529
3-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942255
6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942204) is 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(CC3OCCc4c3cnn4C)CC2)cn1.
What is the InChIKey of 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is XVPIJGXQMRWGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15(2)18-10-21(27)26(14-22-18)12-16-4-7-25(8-5-16)13-20-17-11-23-24(3)19(17)6-9-28-20/h10-11,14-16,20H,4-9,12-13H2,1-3H3.
What are the key properties of 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).