1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea

C23H18FN5O — CID 67062221

IUPAC1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C23H18FN5O/c24-18-6-8-20(9-7-18)28-23(30)29-22-15-17(11-13-26-22)16-10-12-25-21(14-16)27-19-4-2-1-3-5-19/h1-15H,(H,25,27)(H2,26,28,29,30)
InChIKeyWQBBLRPKMCMEKR-UHFFFAOYSA-N
MW399.43 g/mol
LogP5.67
Rot. Bonds5

About 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea (PubChem CID 67062221) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
PubChem CID67062221
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C23H18FN5O/c24-18-6-8-20(9-7-18)28-23(30)29-22-15-17(11-13-26-22)16-10-12-25-21(14-16)27-19-4-2-1-3-5-19/h1-15H,(H,25,27)(H2,26,28,29,30)
InChIKeyWQBBLRPKMCMEKR-UHFFFAOYSA-N
XLogP5.67
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-nitrophenyl)urea
CID 67062216
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-thiophen-3-ylurea
CID 10068802
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
CID 67062397
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[1-(4-bromophenyl)ethyl]urea
CID 10074216
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
CID 10409496
1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
CID 82343536
1-(3-fluorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316253
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea (CID 67062221) is 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1.
What is the InChIKey of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea?
The InChIKey is WQBBLRPKMCMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-18-6-8-20(9-7-18)28-23(30)29-22-15-17(11-13-26-22)16-10-12-25-21(14-16)27-19-4-2-1-3-5-19/h1-15H,(H,25,27)(H2,26,28,29,30).
What are the key properties of 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea?
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea has a molecular weight of 399.43 g/mol, XLogP of 5.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 67062221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).