4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine

C21H23N5O2 — CID 56942989

IUPAC4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21
InChIInChI=1S/C21H23N5O2/c1-13(2)26-12-23-16-4-3-14(11-18(16)26)20-19-17(24-25-20)5-8-22-21(19)28-15-6-9-27-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyQDLHJQGMSWJFJZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.11
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine

4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942989) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942989
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21
InChIInChI=1S/C21H23N5O2/c1-13(2)26-12-23-16-4-3-14(11-18(16)26)20-19-17(24-25-20)5-8-22-21(19)28-15-6-9-27-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyQDLHJQGMSWJFJZ-UHFFFAOYSA-N
XLogP4.11
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine (CID 56942989) is 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine is CC(C)n1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is QDLHJQGMSWJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(2)26-12-23-16-4-3-14(11-18(16)26)20-19-17(24-25-20)5-8-22-21(19)28-15-6-9-27-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25).
What are the key properties of 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 377.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).