3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol

C22H27N5O — CID 155381655

IUPAC3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)C2(C)O
InChIInChI=1S/C22H27N5O/c1-14-7-15-9-24-27(19-10-23-26(13-19)18-5-6-18)21(15)8-20(14)25-11-16-3-4-17(12-25)22(16,2)28/h7-10,13,16-18,28H,3-6,11-12H2,1-2H3
InChIKeyKECRYAQMPNEXND-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.46
Rot. Bonds3

About 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol

3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 155381655) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID155381655
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)C2(C)O
InChIInChI=1S/C22H27N5O/c1-14-7-15-9-24-27(19-10-23-26(13-19)18-5-6-18)21(15)8-20(14)25-11-16-3-4-17(12-25)22(16,2)28/h7-10,13,16-18,28H,3-6,11-12H2,1-2H3
InChIKeyKECRYAQMPNEXND-UHFFFAOYSA-N
XLogP3.46
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol (CID 155381655) is 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol is Cc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1CC2CCC(C1)C2(C)O.
What is the InChIKey of 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is KECRYAQMPNEXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-7-15-9-24-27(19-10-23-26(13-19)18-5-6-18)21(15)8-20(14)25-11-16-3-4-17(12-25)22(16,2)28/h7-10,13,16-18,28H,3-6,11-12H2,1-2H3.
What are the key properties of 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol?
3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 377.49 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 155381655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).