1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea

C21H18FN5O — CID 25134849

IUPAC1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cccn4cnc(N)c34)cc2)ccc1F
InChIInChI=1S/C21H18FN5O/c1-13-11-16(8-9-18(13)22)26-21(28)25-15-6-4-14(5-7-15)17-3-2-10-27-12-24-20(23)19(17)27/h2-12H,23H2,1H3,(H2,25,26,28)
InChIKeyBTNULIFXYQUMOK-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.68
Rot. Bonds3

About 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea

1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea (PubChem CID 25134849) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
PubChem CID25134849
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cccn4cnc(N)c34)cc2)ccc1F
InChIInChI=1S/C21H18FN5O/c1-13-11-16(8-9-18(13)22)26-21(28)25-15-6-4-14(5-7-15)17-3-2-10-27-12-24-20(23)19(17)27/h2-12H,23H2,1H3,(H2,25,26,28)
InChIKeyBTNULIFXYQUMOK-UHFFFAOYSA-N
XLogP4.68
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
CID 25134915
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
CID 159651009
1-[4-(1-amino-3-methylimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-methylphenyl)urea
CID 25135034
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158914768
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 66680417
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 86566940
1-[4-(3-amino-2,1-benzoxazol-4-yl)phenyl]-3-(3-fluoro-4-methylphenyl)urea
CID 69169335
1-[4-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 163619460
1-[4-[3-(aminomethyl)-2H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 91457546
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The IUPAC name of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea (CID 25134849) is 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The canonical SMILES for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea is Cc1cc(NC(=O)Nc2ccc(-c3cccn4cnc(N)c34)cc2)ccc1F.
What is the InChIKey of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea?
The InChIKey is BTNULIFXYQUMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-11-16(8-9-18(13)22)26-21(28)25-15-6-4-14(5-7-15)17-3-2-10-27-12-24-20(23)19(17)27/h2-12H,23H2,1H3,(H2,25,26,28).
What are the key properties of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea?
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea has a molecular weight of 375.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea is sourced from PubChem (CID 25134849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).