8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C17H20N6O — CID 137174995

IUPAC8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCCCC4)cn3)nccc12
InChIInChI=1S/C17H20N6O/c24-17-14-4-6-18-16(15(14)19-12-20-17)23-11-13(10-21-23)5-9-22-7-2-1-3-8-22/h4,6,10-12H,1-3,5,7-9H2,(H,19,20,24)
InChIKeySSZGYIZGRDDQEH-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.53
Rot. Bonds4

About 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137174995) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137174995
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCCCC4)cn3)nccc12
InChIInChI=1S/C17H20N6O/c24-17-14-4-6-18-16(15(14)19-12-20-17)23-11-13(10-21-23)5-9-22-7-2-1-3-8-22/h4,6,10-12H,1-3,5,7-9H2,(H,19,20,24)
InChIKeySSZGYIZGRDDQEH-UHFFFAOYSA-N
XLogP1.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137174995) is 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cc(CCN4CCCCC4)cn3)nccc12.
What is the InChIKey of 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SSZGYIZGRDDQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17-14-4-6-18-16(15(14)19-12-20-17)23-11-13(10-21-23)5-9-22-7-2-1-3-8-22/h4,6,10-12H,1-3,5,7-9H2,(H,19,20,24).
What are the key properties of 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 324.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).