3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine

C20H28N6O — CID 86686713

IUPAC3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc3cn(CCN4CCOCC4)nc3c2)n1
InChIInChI=1S/C20H28N6O/c1-20(2,3)18-13-19(21)26(23-18)16-5-4-15-14-25(22-17(15)12-16)7-6-24-8-10-27-11-9-24/h4-5,12-14H,6-11,21H2,1-3H3
InChIKeyPSIKMLSKTNINCL-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.43
Rot. Bonds4

About 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine

3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine (PubChem CID 86686713) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine
PubChem CID86686713
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc3cn(CCN4CCOCC4)nc3c2)n1
InChIInChI=1S/C20H28N6O/c1-20(2,3)18-13-19(21)26(23-18)16-5-4-15-14-25(22-17(15)12-16)7-6-24-8-10-27-11-9-24/h4-5,12-14H,6-11,21H2,1-3H3
InChIKeyPSIKMLSKTNINCL-UHFFFAOYSA-N
XLogP2.43
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine (CID 86686713) is 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccc3cn(CCN4CCOCC4)nc3c2)n1.
What is the InChIKey of 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine?
The InChIKey is PSIKMLSKTNINCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-20(2,3)18-13-19(21)26(23-18)16-5-4-15-14-25(22-17(15)12-16)7-6-24-8-10-27-11-9-24/h4-5,12-14H,6-11,21H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine?
3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine has a molecular weight of 368.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine is sourced from PubChem (CID 86686713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).