1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

C21H18FN5O — CID 25135144

IUPAC1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4c(N)ncc34)cc2)c1
InChIInChI=1S/C21H18FN5O/c1-13-4-9-17(22)18(11-13)26-21(28)25-15-7-5-14(6-8-15)16-3-2-10-27-19(16)12-24-20(27)23/h2-12H,1H3,(H2,23,24)(H2,25,26,28)
InChIKeyVOSBWELQBNFCDD-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.68
Rot. Bonds3

About 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 25135144) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID25135144
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4c(N)ncc34)cc2)c1
InChIInChI=1S/C21H18FN5O/c1-13-4-9-17(22)18(11-13)26-21(28)25-15-7-5-14(6-8-15)16-3-2-10-27-19(16)12-24-20(27)23/h2-12H,1H3,(H2,23,24)(H2,25,26,28)
InChIKeyVOSBWELQBNFCDD-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-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 25135088
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-[4-(3-amino-7-fluoro-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 69169305
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 25134849
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-(2-fluoro-4,5-dimethylphenyl)urea
CID 159651009
(2S)-2-amino-4-[[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]indazole-1-carbonyl]sulfanylamino]-4-oxobutanoic acid
CID 146335602
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-[4-[4-amino-7-(2,6-difluoro-3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451082

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 25135144) is 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4c(N)ncc34)cc2)c1.
What is the InChIKey of 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is VOSBWELQBNFCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-4-9-17(22)18(11-13)26-21(28)25-15-7-5-14(6-8-15)16-3-2-10-27-19(16)12-24-20(27)23/h2-12H,1H3,(H2,23,24)(H2,25,26,28).
What are the key properties of 1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-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-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 25135144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).