5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

C27H28N6O3 — CID 118381130

IUPAC5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CC6CC(C5)O6)c4)cc23)cn1
InChIInChI=1S/C27H28N6O3/c1-16(2)35-25-6-4-20(12-29-25)30-27(34)26-23-8-18(3-5-24(23)31-32-26)19-7-17(10-28-11-19)13-33-14-21-9-22(15-33)36-21/h3-8,10-12,16,21-22H,9,13-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyOLMDVYFVQFYWFE-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.03
Rot. Bonds7

About 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118381130) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID118381130
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CC6CC(C5)O6)c4)cc23)cn1
InChIInChI=1S/C27H28N6O3/c1-16(2)35-25-6-4-20(12-29-25)30-27(34)26-23-8-18(3-5-24(23)31-32-26)19-7-17(10-28-11-19)13-33-14-21-9-22(15-33)36-21/h3-8,10-12,16,21-22H,9,13-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyOLMDVYFVQFYWFE-UHFFFAOYSA-N
XLogP4.03
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 118381130) is 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-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-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CC6CC(C5)O6)c4)cc23)cn1.
What is the InChIKey of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is OLMDVYFVQFYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-16(2)35-25-6-4-20(12-29-25)30-27(34)26-23-8-18(3-5-24(23)31-32-26)19-7-17(10-28-11-19)13-33-14-21-9-22(15-33)36-21/h3-8,10-12,16,21-22H,9,13-15H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of 5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).