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

C24H26N6O2 — CID 155549007

IUPAC8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-32-20-4-2-3-19(13-20)18-7-11-29(12-8-18)10-6-17-14-28-30(15-17)23-22-21(5-9-25-23)24(31)27-16-26-22/h2-5,9,13-16,18H,6-8,10-12H2,1H3,(H,26,27,31)
InChIKeyVCITXXCATLNLDE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.93
Rot. Bonds6

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

8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 155549007) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID155549007
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-32-20-4-2-3-19(13-20)18-7-11-29(12-8-18)10-6-17-14-28-30(15-17)23-22-21(5-9-25-23)24(31)27-16-26-22/h2-5,9,13-16,18H,6-8,10-12H2,1H3,(H,26,27,31)
InChIKeyVCITXXCATLNLDE-UHFFFAOYSA-N
XLogP2.93
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 155549007) is 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1.
What is the InChIKey of 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VCITXXCATLNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-32-20-4-2-3-19(13-20)18-7-11-29(12-8-18)10-6-17-14-28-30(15-17)23-22-21(5-9-25-23)24(31)27-16-26-22/h2-5,9,13-16,18H,6-8,10-12H2,1H3,(H,26,27,31).
What are the key properties of 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 430.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155549007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).