N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide

C20H19F2N5O — CID 72944196

IUPACN-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide
SMILESO=C(N/C(=N\C1CCCC1)Nc1n[nH]c2cc(F)ccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N5O/c21-13-7-5-12(6-8-13)19(28)25-20(23-15-3-1-2-4-15)24-18-16-10-9-14(22)11-17(16)26-27-18/h5-11,15H,1-4H2,(H3,23,24,25,26,27,28)
InChIKeyBUFDQOROHMPCKV-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.98
Rot. Bonds3

About N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide

N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide (PubChem CID 72944196) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide
PubChem CID72944196
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC NameN-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide
SMILESO=C(N/C(=N\C1CCCC1)Nc1n[nH]c2cc(F)ccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N5O/c21-13-7-5-12(6-8-13)19(28)25-20(23-15-3-1-2-4-15)24-18-16-10-9-14(22)11-17(16)26-27-18/h5-11,15H,1-4H2,(H3,23,24,25,26,27,28)
InChIKeyBUFDQOROHMPCKV-UHFFFAOYSA-N
XLogP3.98
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[N-(6-chloro-5-fluoro-1H-indazol-3-yl)-N'-cyclopentylcarbamimidoyl]benzamide
CID 72944627
N-[N'-tert-butyl-N-[6-(trifluoromethyl)-1H-indazol-3-yl]carbamimidoyl]-4-fluorobenzamide
CID 72944195
N-[(6-fluoro-1H-indazol-3-yl)carbamothioyl]-4-methylbenzamide
CID 118119285
N-[N'-cyclopentyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 88534785
3,4-difluoro-N-[N-(6-fluoro-1H-indazol-3-yl)-N'-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]benzamide
CID 72943974
2-cyclopentyl-N-[6-(4-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060428
N-[N'-cyclopentyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(difluoromethyl)benzamide
CID 67965786
4-chloro-N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-3-fluorobenzamide
CID 126625740
2-cyclopentyl-N-[6-(3-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060880
N-[N-(3-chloro-5-fluorophenyl)-N'-cyclohexylcarbamimidoyl]-3,4-difluorobenzamide
CID 67967099
3-fluoro-N-[N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-N'-(4-methylcyclohexyl)carbamimidoyl]benzamide
CID 57383077
4-chloro-N-[N'-cyclobutyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3-fluorobenzamide
CID 67965742

Frequently Asked Questions

What is the IUPAC name of N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide?
The IUPAC name of N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide (CID 72944196) is N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide.
What is the SMILES notation for N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide?
The canonical SMILES for N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide is O=C(N/C(=N\C1CCCC1)Nc1n[nH]c2cc(F)ccc12)c1ccc(F)cc1.
What is the InChIKey of N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide?
The InChIKey is BUFDQOROHMPCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-13-7-5-12(6-8-13)19(28)25-20(23-15-3-1-2-4-15)24-18-16-10-9-14(22)11-17(16)26-27-18/h5-11,15H,1-4H2,(H3,23,24,25,26,27,28).
What are the key properties of N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide?
N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide has a molecular weight of 383.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-cyclopentyl-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]-4-fluorobenzamide is sourced from PubChem (CID 72944196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).