6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

C19H22N4O — CID 118930227

IUPAC6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1
InChIInChI=1S/C19H22N4O/c1-14(2)24-17-6-5-15-13-21-23(18(15)12-17)16-7-8-20-19(11-16)22-9-3-4-10-22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyIGPDFGQHNLOLRA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.81
Rot. Bonds4

About 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (PubChem CID 118930227) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.

Molecular Properties

Compound Name6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
PubChem CID118930227
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1
InChIInChI=1S/C19H22N4O/c1-14(2)24-17-6-5-15-13-21-23(18(15)12-17)16-7-8-20-19(11-16)22-9-3-4-10-22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyIGPDFGQHNLOLRA-UHFFFAOYSA-N
XLogP3.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The IUPAC name of 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (CID 118930227) is 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.
What is the SMILES notation for 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The canonical SMILES for 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is CC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1.
What is the InChIKey of 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The InChIKey is IGPDFGQHNLOLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)24-17-6-5-15-13-21-23(18(15)12-17)16-7-8-20-19(11-16)22-9-3-4-10-22/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole has a molecular weight of 322.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is sourced from PubChem (CID 118930227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).