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

C24H26N6O — CID 137175249

IUPAC8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12
InChIInChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31)
InChIKeyFBNVHXXPQQVJCQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.00
Rot. Bonds6

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

8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137175249) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137175249
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12
InChIInChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31)
InChIKeyFBNVHXXPQQVJCQ-UHFFFAOYSA-N
XLogP3.00
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137175249) is 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12.
What is the InChIKey of 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FBNVHXXPQQVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c31-24-21-6-10-25-23(22(21)26-17-27-24)30-16-20(15-28-30)9-13-29-11-7-19(8-12-29)14-18-4-2-1-3-5-18/h1-6,10,15-17,19H,7-9,11-14H2,(H,26,27,31).
What are the key properties of 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 414.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(4-benzylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137175249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).