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

C18H23N5O3 — CID 155569011

IUPAC2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H23N5O3/c1-18(2,24)11-23-10-12(9-20-23)16-15-14(21-22-16)3-6-19-17(15)26-13-4-7-25-8-5-13/h3,6,9-10,13,24H,4-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyPCCQZRXZEOVGFU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds5

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

2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 155569011) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
PubChem CID155569011
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H23N5O3/c1-18(2,24)11-23-10-12(9-20-23)16-15-14(21-22-16)3-6-19-17(15)26-13-4-7-25-8-5-13/h3,6,9-10,13,24H,4-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyPCCQZRXZEOVGFU-UHFFFAOYSA-N
XLogP2.15
TPSA98.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
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-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol (CID 155569011) is 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol is CC(C)(O)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1.
What is the InChIKey of 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is PCCQZRXZEOVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-18(2,24)11-23-10-12(9-20-23)16-15-14(21-22-16)3-6-19-17(15)26-13-4-7-25-8-5-13/h3,6,9-10,13,24H,4-5,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 357.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 155569011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).