N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide

C23H20FN5O3 — CID 55701855

IUPACN-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)NCc2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C23H20FN5O3/c1-15-19(9-10-32-15)22(30)28-21-11-17(7-8-20(21)24)27-23(31)25-12-16-13-26-29(14-16)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,28,30)(H2,25,27,31)
InChIKeyIEKPZOAHRVSSRF-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.49
Rot. Bonds6

About N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 55701855) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID55701855
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC NameN-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)NCc2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C23H20FN5O3/c1-15-19(9-10-32-15)22(30)28-21-11-17(7-8-20(21)24)27-23(31)25-12-16-13-26-29(14-16)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,28,30)(H2,25,27,31)
InChIKeyIEKPZOAHRVSSRF-UHFFFAOYSA-N
XLogP4.49
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55698756
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 55707486
1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78894433
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55723718
1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47040323

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide (CID 55701855) is N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)NCc2cnn(-c3ccccc3)c2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is IEKPZOAHRVSSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-15-19(9-10-32-15)22(30)28-21-11-17(7-8-20(21)24)27-23(31)25-12-16-13-26-29(14-16)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,28,30)(H2,25,27,31).
What are the key properties of N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).