5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide

C13H17FN4O — CID 67340264

IUPAC5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide
SMILESCC(C)NCCn1cc2cc(F)cc(C(N)=O)c2n1
InChIInChI=1S/C13H17FN4O/c1-8(2)16-3-4-18-7-9-5-10(14)6-11(13(15)19)12(9)17-18/h5-8,16H,3-4H2,1-2H3,(H2,15,19)
InChIKeyDQJDZXBOJAPHBF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.27
Rot. Bonds5

About 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide

5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide (PubChem CID 67340264) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide
PubChem CID67340264
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide
SMILESCC(C)NCCn1cc2cc(F)cc(C(N)=O)c2n1
InChIInChI=1S/C13H17FN4O/c1-8(2)16-3-4-18-7-9-5-10(14)6-11(13(15)19)12(9)17-18/h5-8,16H,3-4H2,1-2H3,(H2,15,19)
InChIKeyDQJDZXBOJAPHBF-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide (CID 67340264) is 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide is CC(C)NCCn1cc2cc(F)cc(C(N)=O)c2n1.
What is the InChIKey of 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide?
The InChIKey is DQJDZXBOJAPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8(2)16-3-4-18-7-9-5-10(14)6-11(13(15)19)12(9)17-18/h5-8,16H,3-4H2,1-2H3,(H2,15,19).
What are the key properties of 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide?
5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(propan-2-ylamino)ethyl]indazole-7-carboxamide is sourced from PubChem (CID 67340264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).