3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one

C23H20N6O — CID 170995116

IUPAC3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one
SMILESCc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3n[nH]c(C4CC4)c32)cn1
InChIInChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26)
InChIKeyFXFWSZOXZYQPQZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.85
Rot. Bonds3

About 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one

3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 170995116) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID170995116
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one
SMILESCc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3n[nH]c(C4CC4)c32)cn1
InChIInChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26)
InChIKeyFXFWSZOXZYQPQZ-UHFFFAOYSA-N
XLogP3.85
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one (CID 170995116) is 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one is Cc1ccc(-n2c(=O)c(-c3ccc4nn(C)cc4c3)cc3n[nH]c(C4CC4)c32)cn1.
What is the InChIKey of 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is FXFWSZOXZYQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26).
What are the key properties of 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one?
3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 396.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 170995116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).