2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H26N6O2 — CID 137058266

IUPAC2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2n[nH]c4c2CCC4)C3)CC1
InChIInChI=1S/C20H26N6O2/c1-12-5-8-25(9-6-12)20-21-16-11-26(10-7-14(16)18(27)22-20)19(28)17-13-3-2-4-15(13)23-24-17/h12H,2-11H2,1H3,(H,23,24)(H,21,22,27)
InChIKeyYOLSSHCTRHUREA-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.42
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137058266) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137058266
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2n[nH]c4c2CCC4)C3)CC1
InChIInChI=1S/C20H26N6O2/c1-12-5-8-25(9-6-12)20-21-16-11-26(10-7-14(16)18(27)22-20)19(28)17-13-3-2-4-15(13)23-24-17/h12H,2-11H2,1H3,(H,23,24)(H,21,22,27)
InChIKeyYOLSSHCTRHUREA-UHFFFAOYSA-N
XLogP1.42
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137058266) is 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2n[nH]c4c2CCC4)C3)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YOLSSHCTRHUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-5-8-25(9-6-12)20-21-16-11-26(10-7-14(16)18(27)22-20)19(28)17-13-3-2-4-15(13)23-24-17/h12H,2-11H2,1H3,(H,23,24)(H,21,22,27).
What are the key properties of 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137058266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).