N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide

C20H19F2N3O — CID 171559435

IUPACN-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nn(CCCF)c2c(C3CC3)cccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c21-11-2-12-25-18-16(13-5-6-13)3-1-4-17(18)19(24-25)23-20(26)14-7-9-15(22)10-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,23,24,26)
InChIKeyDNBNJULFWGYVOF-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.66
Rot. Bonds6

About N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide

N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide (PubChem CID 171559435) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide
PubChem CID171559435
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nn(CCCF)c2c(C3CC3)cccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c21-11-2-12-25-18-16(13-5-6-13)3-1-4-17(18)19(24-25)23-20(26)14-7-9-15(22)10-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,23,24,26)
InChIKeyDNBNJULFWGYVOF-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide
CID 171559426
N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
CID 171559389
4-fluoro-N-(7-propan-2-yl-1-prop-2-ynylindazol-3-yl)benzamide
CID 171559422
N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
CID 171559481
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-fluorobenzamide
CID 53190492
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
CID 134161068
N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide
CID 169169704
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365

Frequently Asked Questions

What is the IUPAC name of N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide (CID 171559435) is N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide is O=C(Nc1nn(CCCF)c2c(C3CC3)cccc12)c1ccc(F)cc1.
What is the InChIKey of N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide?
The InChIKey is DNBNJULFWGYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-11-2-12-25-18-16(13-5-6-13)3-1-4-17(18)19(24-25)23-20(26)14-7-9-15(22)10-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,23,24,26).
What are the key properties of N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide?
N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide has a molecular weight of 355.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 171559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).