6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H18N6O2 — CID 91663282

IUPAC6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3cnn(-c4cc(CO)ccn4)c3)c[nH]n2c1=O
InChIInChI=1S/C18H18N6O2/c1-3-14-11(2)22-17-15(8-21-24(17)18(14)26)13-7-20-23(9-13)16-6-12(10-25)4-5-19-16/h4-9,21,25H,3,10H2,1-2H3
InChIKeyFHVNWSLMAQQCSI-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.63
Rot. Bonds4

About 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91663282) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91663282
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3cnn(-c4cc(CO)ccn4)c3)c[nH]n2c1=O
InChIInChI=1S/C18H18N6O2/c1-3-14-11(2)22-17-15(8-21-24(17)18(14)26)13-7-20-23(9-13)16-6-12(10-25)4-5-19-16/h4-9,21,25H,3,10H2,1-2H3
InChIKeyFHVNWSLMAQQCSI-UHFFFAOYSA-N
XLogP1.63
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91663282) is 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2c(-c3cnn(-c4cc(CO)ccn4)c3)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FHVNWSLMAQQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-3-14-11(2)22-17-15(8-21-24(17)18(14)26)13-7-20-23(9-13)16-6-12(10-25)4-5-19-16/h4-9,21,25H,3,10H2,1-2H3.
What are the key properties of 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[1-[4-(hydroxymethyl)-2-pyridinyl]pyrazol-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91663282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).