2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C18H18N6O3 — CID 72889489

IUPAC2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCc2c([nH]n(CCO)c2=O)C1
InChIInChI=1S/C18H18N6O3/c25-7-6-24-18(27)14-3-5-23(11-15(14)22-24)17(26)13-9-20-16(21-10-13)12-2-1-4-19-8-12/h1-2,4,8-10,22,25H,3,5-7,11H2
InChIKeyZSGNHQIEFCCAHO-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.22
Rot. Bonds4

About 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 72889489) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID72889489
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCc2c([nH]n(CCO)c2=O)C1
InChIInChI=1S/C18H18N6O3/c25-7-6-24-18(27)14-3-5-23(11-15(14)22-24)17(26)13-9-20-16(21-10-13)12-2-1-4-19-8-12/h1-2,4,8-10,22,25H,3,5-7,11H2
InChIKeyZSGNHQIEFCCAHO-UHFFFAOYSA-N
XLogP0.22
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 72889489) is 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=C(c1cnc(-c2cccnc2)nc1)N1CCc2c([nH]n(CCO)c2=O)C1.
What is the InChIKey of 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is ZSGNHQIEFCCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c25-7-6-24-18(27)14-3-5-23(11-15(14)22-24)17(26)13-9-20-16(21-10-13)12-2-1-4-19-8-12/h1-2,4,8-10,22,25H,3,5-7,11H2.
What are the key properties of 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 366.38 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 72889489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).