N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide

C20H16FN5O2 — CID 67126937

IUPACN-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccccc2F)ccc1-c1cc(Cc2ccco2)[nH]n1
InChIInChI=1S/C20H16FN5O2/c21-16-6-2-1-5-14(16)20(27)24-18-8-7-15(19(22)23-18)17-11-12(25-26-17)10-13-4-3-9-28-13/h1-9,11H,10H2,(H,25,26)(H3,22,23,24,27)
InChIKeyYACHUDXYCRTLRU-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.63
Rot. Bonds5

About N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide

N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide (PubChem CID 67126937) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
PubChem CID67126937
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccccc2F)ccc1-c1cc(Cc2ccco2)[nH]n1
InChIInChI=1S/C20H16FN5O2/c21-16-6-2-1-5-14(16)20(27)24-18-8-7-15(19(22)23-18)17-11-12(25-26-17)10-13-4-3-9-28-13/h1-9,11H,10H2,(H,25,26)(H3,22,23,24,27)
InChIKeyYACHUDXYCRTLRU-UHFFFAOYSA-N
XLogP3.63
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane
CID 159062164
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345851
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719710
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide (CID 67126937) is N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide is Nc1nc(NC(=O)c2ccccc2F)ccc1-c1cc(Cc2ccco2)[nH]n1.
What is the InChIKey of N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is YACHUDXYCRTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-16-6-2-1-5-14(16)20(27)24-18-8-7-15(19(22)23-18)17-11-12(25-26-17)10-13-4-3-9-28-13/h1-9,11H,10H2,(H,25,26)(H3,22,23,24,27).
What are the key properties of N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 377.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[5-(furan-2-ylmethyl)-1H-pyrazol-3-yl]-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 67126937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).