N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide

C24H24FN5O2 — CID 163286481

IUPACN-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide
SMILESCn1ccc(Nc2ccc(CNc3ccc(F)c(NC(=O)CCc4ccco4)c3)cc2)n1
InChIInChI=1S/C24H24FN5O2/c1-30-13-12-23(29-30)27-18-6-4-17(5-7-18)16-26-19-8-10-21(25)22(15-19)28-24(31)11-9-20-3-2-14-32-20/h2-8,10,12-15,26H,9,11,16H2,1H3,(H,27,29)(H,28,31)
InChIKeyWHFKITJGJSXPBQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.08
Rot. Bonds9

About N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide

N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide (PubChem CID 163286481) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide
PubChem CID163286481
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide
SMILESCn1ccc(Nc2ccc(CNc3ccc(F)c(NC(=O)CCc4ccco4)c3)cc2)n1
InChIInChI=1S/C24H24FN5O2/c1-30-13-12-23(29-30)27-18-6-4-17(5-7-18)16-26-19-8-10-21(25)22(15-19)28-24(31)11-9-20-3-2-14-32-20/h2-8,10,12-15,26H,9,11,16H2,1H3,(H,27,29)(H,28,31)
InChIKeyWHFKITJGJSXPBQ-UHFFFAOYSA-N
XLogP5.08
TPSA84.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide with MolForge

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Related Compounds

N-[5-[[4-(5-amino-1H-pyrazol-4-yl)phenyl]methylamino]-2-fluorophenyl]-3-(furan-2-yl)propanamide
CID 163286483
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide
CID 163286458
N-[5-[(4-bromophenyl)methylamino]-2-fluorophenyl]-3-phenylpropanamide
CID 163286469
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
CID 43580455
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(furan-2-yl)propanamide
CID 104780887
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide (CID 163286481) is N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide is Cn1ccc(Nc2ccc(CNc3ccc(F)c(NC(=O)CCc4ccco4)c3)cc2)n1.
What is the InChIKey of N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is WHFKITJGJSXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-30-13-12-23(29-30)27-18-6-4-17(5-7-18)16-26-19-8-10-21(25)22(15-19)28-24(31)11-9-20-3-2-14-32-20/h2-8,10,12-15,26H,9,11,16H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide?
N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 433.49 g/mol, XLogP of 5.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[4-[(1-methylpyrazol-3-yl)amino]phenyl]methylamino]phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 163286481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).