4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol

C22H27N5O — CID 71717020

IUPAC4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol
SMILESCC(C)n1nc(CCn2nc(CCCCO)c3ccccc32)c2cnccc21
InChIInChI=1S/C22H27N5O/c1-16(2)27-22-10-12-23-15-18(22)20(25-27)11-13-26-21-9-4-3-7-17(21)19(24-26)8-5-6-14-28/h3-4,7,9-10,12,15-16,28H,5-6,8,11,13-14H2,1-2H3
InChIKeyXLUJLYMPCLQOAT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.92
Rot. Bonds8

About 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol

4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol (PubChem CID 71717020) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol
PubChem CID71717020
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol
SMILESCC(C)n1nc(CCn2nc(CCCCO)c3ccccc32)c2cnccc21
InChIInChI=1S/C22H27N5O/c1-16(2)27-22-10-12-23-15-18(22)20(25-27)11-13-26-21-9-4-3-7-17(21)19(24-26)8-5-6-14-28/h3-4,7,9-10,12,15-16,28H,5-6,8,11,13-14H2,1-2H3
InChIKeyXLUJLYMPCLQOAT-UHFFFAOYSA-N
XLogP3.92
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol?
The IUPAC name of 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol (CID 71717020) is 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol.
What is the SMILES notation for 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol?
The canonical SMILES for 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol is CC(C)n1nc(CCn2nc(CCCCO)c3ccccc32)c2cnccc21.
What is the InChIKey of 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol?
The InChIKey is XLUJLYMPCLQOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(2)27-22-10-12-23-15-18(22)20(25-27)11-13-26-21-9-4-3-7-17(21)19(24-26)8-5-6-14-28/h3-4,7,9-10,12,15-16,28H,5-6,8,11,13-14H2,1-2H3.
What are the key properties of 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol?
4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol has a molecular weight of 377.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)ethyl]indazol-3-yl]butan-1-ol is sourced from PubChem (CID 71717020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).