5-(azepan-4-yloxy)-1H-indazole-4-carboxamide

C14H18N4O2 — CID 22933437

IUPAC5-(azepan-4-yloxy)-1H-indazole-4-carboxamide
SMILESNC(=O)c1c(OC2CCCNCC2)ccc2[nH]ncc12
InChIInChI=1S/C14H18N4O2/c15-14(19)13-10-8-17-18-11(10)3-4-12(13)20-9-2-1-6-16-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,19)(H,17,18)
InChIKeyYFZIYFPHUJHYQE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds3

About 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide

5-(azepan-4-yloxy)-1H-indazole-4-carboxamide (PubChem CID 22933437) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name5-(azepan-4-yloxy)-1H-indazole-4-carboxamide
PubChem CID22933437
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(azepan-4-yloxy)-1H-indazole-4-carboxamide
SMILESNC(=O)c1c(OC2CCCNCC2)ccc2[nH]ncc12
InChIInChI=1S/C14H18N4O2/c15-14(19)13-10-8-17-18-11(10)3-4-12(13)20-9-2-1-6-16-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,19)(H,17,18)
InChIKeyYFZIYFPHUJHYQE-UHFFFAOYSA-N
XLogP1.18
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide?
The IUPAC name of 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide (CID 22933437) is 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide.
What is the SMILES notation for 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide?
The canonical SMILES for 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide is NC(=O)c1c(OC2CCCNCC2)ccc2[nH]ncc12.
What is the InChIKey of 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide?
The InChIKey is YFZIYFPHUJHYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-14(19)13-10-8-17-18-11(10)3-4-12(13)20-9-2-1-6-16-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,19)(H,17,18).
What are the key properties of 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide?
5-(azepan-4-yloxy)-1H-indazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-4-yloxy)-1H-indazole-4-carboxamide is sourced from PubChem (CID 22933437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).