3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C27H24N8O — CID 72725092

IUPAC3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2o1
InChIInChI=1S/C27H24N8O/c28-26-22(10-18(12-30-26)20-14-32-35(15-20)21-5-7-29-8-6-21)27-33-24-4-2-17(11-25(24)36-27)16-1-3-23-19(9-16)13-31-34-23/h1-4,9-15,21,29H,5-8H2,(H2,28,30)(H,31,34)
InChIKeyDATHGWZCHIMJHT-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.80
Rot. Bonds4

About 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 72725092) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID72725092
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2o1
InChIInChI=1S/C27H24N8O/c28-26-22(10-18(12-30-26)20-14-32-35(15-20)21-5-7-29-8-6-21)27-33-24-4-2-17(11-25(24)36-27)16-1-3-23-19(9-16)13-31-34-23/h1-4,9-15,21,29H,5-8H2,(H2,28,30)(H,31,34)
InChIKeyDATHGWZCHIMJHT-UHFFFAOYSA-N
XLogP4.80
TPSA123.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 72725092) is 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2o1.
What is the InChIKey of 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is DATHGWZCHIMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c28-26-22(10-18(12-30-26)20-14-32-35(15-20)21-5-7-29-8-6-21)27-33-24-4-2-17(11-25(24)36-27)16-1-3-23-19(9-16)13-31-34-23/h1-4,9-15,21,29H,5-8H2,(H2,28,30)(H,31,34).
What are the key properties of 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 476.54 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-indazol-5-yl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 72725092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).