2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol

C17H19N7O — CID 71254249

IUPAC2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
SMILESCn1cc(-c2cc3c(-c4cnn(CC(C)(C)O)c4)n[nH]c3cn2)cn1
InChIInChI=1S/C17H19N7O/c1-17(2,25)10-24-9-12(6-20-24)16-13-4-14(11-5-19-23(3)8-11)18-7-15(13)21-22-16/h4-9,25H,10H2,1-3H3,(H,21,22)
InChIKeyZYYNCEXTLNUHQD-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 71254249) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
PubChem CID71254249
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
SMILESCn1cc(-c2cc3c(-c4cnn(CC(C)(C)O)c4)n[nH]c3cn2)cn1
InChIInChI=1S/C17H19N7O/c1-17(2,25)10-24-9-12(6-20-24)16-13-4-14(11-5-19-23(3)8-11)18-7-15(13)21-22-16/h4-9,25H,10H2,1-3H3,(H,21,22)
InChIKeyZYYNCEXTLNUHQD-UHFFFAOYSA-N
XLogP1.99
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol (CID 71254249) is 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol is Cn1cc(-c2cc3c(-c4cnn(CC(C)(C)O)c4)n[nH]c3cn2)cn1.
What is the InChIKey of 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is ZYYNCEXTLNUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-17(2,25)10-24-9-12(6-20-24)16-13-4-14(11-5-19-23(3)8-11)18-7-15(13)21-22-16/h4-9,25H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 337.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 71254249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).