5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C24H22N6O2 — CID 118381132

IUPAC5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC5CC(C4)O5)c3)cc12
InChIInChI=1S/C24H22N6O2/c31-24(27-18-2-1-5-25-11-18)23-21-7-16(3-4-22(21)28-29-23)17-6-15(9-26-10-17)12-30-13-19-8-20(14-30)32-19/h1-7,9-11,19-20H,8,12-14H2,(H,27,31)(H,28,29)
InChIKeySZBCOWYOKDHMCB-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.25
Rot. Bonds5

About 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381132) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381132
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC5CC(C4)O5)c3)cc12
InChIInChI=1S/C24H22N6O2/c31-24(27-18-2-1-5-25-11-18)23-21-7-16(3-4-22(21)28-29-23)17-6-15(9-26-10-17)12-30-13-19-8-20(14-30)32-19/h1-7,9-11,19-20H,8,12-14H2,(H,27,31)(H,28,29)
InChIKeySZBCOWYOKDHMCB-UHFFFAOYSA-N
XLogP3.25
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide 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 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381132) is 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC5CC(C4)O5)c3)cc12.
What is the InChIKey of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is SZBCOWYOKDHMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24(27-18-2-1-5-25-11-18)23-21-7-16(3-4-22(21)28-29-23)17-6-15(9-26-10-17)12-30-13-19-8-20(14-30)32-19/h1-7,9-11,19-20H,8,12-14H2,(H,27,31)(H,28,29).
What are the key properties of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).