1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea

C22H21N5O — CID 11485553

IUPAC1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(-c2cccc3c2c(N)nn3C)cc1
InChIInChI=1S/C22H21N5O/c1-14-6-3-4-8-18(14)25-22(28)24-16-12-10-15(11-13-16)17-7-5-9-19-20(17)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
InChIKeyZFFCQFVVPYROSV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 11485553) 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]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
PubChem CID11485553
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(-c2cccc3c2c(N)nn3C)cc1
InChIInChI=1S/C22H21N5O/c1-14-6-3-4-8-18(14)25-22(28)24-16-12-10-15(11-13-16)17-7-5-9-19-20(17)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
InChIKeyZFFCQFVVPYROSV-UHFFFAOYSA-N
XLogP4.77
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea
CID 68613578
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
CID 118158372
1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 70893562
2-[4-[2-[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyridinyl]ethyl]phenyl]acetic acid
CID 10073936
1-(3-chlorophenyl)-3-[4-(1,3-dimethylindazol-4-yl)phenyl]urea;2,2,2-trifluoroacetic acid
CID 90882051
1-[4-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]phenyl]-3-(2-methylphenyl)urea
CID 166862280
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
CID 25134915
(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-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea (CID 11485553) is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(-c2cccc3c2c(N)nn3C)cc1.
What is the InChIKey of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is ZFFCQFVVPYROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-6-3-4-8-18(14)25-22(28)24-16-12-10-15(11-13-16)17-7-5-9-19-20(17)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28).
What are the key properties of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 371.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 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]-3-(2-methylphenyl)urea is sourced from PubChem (CID 11485553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).