1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea

C22H21N5O — CID 68613578

IUPAC1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(C(N)=O)c2ccc(-c3cccc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-14-6-10-16(11-7-14)27(22(24)28)17-12-8-15(9-13-17)18-4-3-5-19-20(18)21(23)25-26(19)2/h3-13H,1-2H3,(H2,23,25)(H2,24,28)
InChIKeyIJAJHCDMFYDMKX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.35
Rot. Bonds3

About 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea (PubChem CID 68613578) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea
PubChem CID68613578
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(C(N)=O)c2ccc(-c3cccc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-14-6-10-16(11-7-14)27(22(24)28)17-12-8-15(9-13-17)18-4-3-5-19-20(18)21(23)25-26(19)2/h3-13H,1-2H3,(H2,23,25)(H2,24,28)
InChIKeyIJAJHCDMFYDMKX-UHFFFAOYSA-N
XLogP4.35
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-dimethylphenyl)urea
CID 69397929
1-[4-[3-amino-1-(2-morpholin-4-ylethyl)indazol-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 66680683
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
CID 174507017
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-ethylphenyl)urea
CID 174506991
1-methyl-4-(trifluoromethyl)indazol-3-amine
CID 53403360
2,6-bis(4-methylphenyl)benzamide
CID 11301076
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
4-amino-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 66123231
1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
CID 174509720
(2S)-2-amino-4-[[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]indazole-1-carbonyl]sulfanylamino]-4-oxobutanoic acid
CID 146335602
(2S)-2-amino-4-[3-amino-4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenyl]indazol-1-yl]-4-oxobutanoic acid
CID 157359086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea (CID 68613578) is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea is Cc1ccc(N(C(N)=O)c2ccc(-c3cccc4c3c(N)nn4C)cc2)cc1.
What is the InChIKey of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea?
The InChIKey is IJAJHCDMFYDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-6-10-16(11-7-14)27(22(24)28)17-12-8-15(9-13-17)18-4-3-5-19-20(18)21(23)25-26(19)2/h3-13H,1-2H3,(H2,23,25)(H2,24,28).
What are the key properties of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea?
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea has a molecular weight of 371.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea is sourced from PubChem (CID 68613578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).