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

C19H24N6O2 — CID 135719607

IUPAC2-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C19H24N6O2/c26-17-13-7-10-25(18(27)16-12-5-4-6-14(12)22-23-16)11-15(13)20-19(21-17)24-8-2-1-3-9-24/h1-11H2,(H,22,23)(H,20,21,26)
InChIKeyLZUZKOJKFVIQCP-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.17
Rot. Bonds2

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

2-piperidin-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 135719607) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-piperidin-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-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719607
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C19H24N6O2/c26-17-13-7-10-25(18(27)16-12-5-4-6-14(12)22-23-16)11-15(13)20-19(21-17)24-8-2-1-3-9-24/h1-11H2,(H,22,23)(H,20,21,26)
InChIKeyLZUZKOJKFVIQCP-UHFFFAOYSA-N
XLogP1.17
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-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-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719607) is 2-piperidin-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-piperidin-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-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of 2-piperidin-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 LZUZKOJKFVIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17-13-7-10-25(18(27)16-12-5-4-6-14(12)22-23-16)11-15(13)20-19(21-17)24-8-2-1-3-9-24/h1-11H2,(H,22,23)(H,20,21,26).
What are the key properties of 2-piperidin-1-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-piperidin-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 368.44 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-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 135719607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).