1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea

C24H25ClN6O — CID 66680336

IUPAC1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
SMILESCN(C)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cccc21
InChIInChI=1S/C24H25ClN6O/c1-30(2)13-14-31-21-8-4-7-20(22(21)23(26)29-31)16-9-11-18(12-10-16)27-24(32)28-19-6-3-5-17(25)15-19/h3-12,15H,13-14H2,1-2H3,(H2,26,29)(H2,27,28,32)
InChIKeyGSNARJQFXCOUTN-UHFFFAOYSA-N
MW448.96 g/mol
LogP5.14
Rot. Bonds6

About 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea

1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea (PubChem CID 66680336) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
PubChem CID66680336
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
SMILESCN(C)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cccc21
InChIInChI=1S/C24H25ClN6O/c1-30(2)13-14-31-21-8-4-7-20(22(21)23(26)29-31)16-9-11-18(12-10-16)27-24(32)28-19-6-3-5-17(25)15-19/h3-12,15H,13-14H2,1-2H3,(H2,26,29)(H2,27,28,32)
InChIKeyGSNARJQFXCOUTN-UHFFFAOYSA-N
XLogP5.14
TPSA88.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.96
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 66681363
1-(3-chlorophenyl)-3-[4-(1,3-dimethylindazol-4-yl)phenyl]urea;2,2,2-trifluoroacetic acid
CID 90882051
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
1-[4-[4-amino-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-chlorophenyl)urea
CID 18450970
1-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 11463344
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
1-[4-[3-amino-7-[2-(dimethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-bromophenyl)urea
CID 66682276
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 66681736
CID 168763640
CID 168763640
1-[4-[3-anilino-7-(morpholin-4-ylmethyl)-2,1-benzoxazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
CID 69410147
1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
CID 3576575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea (CID 66680336) is 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea is CN(C)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cccc21.
What is the InChIKey of 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is GSNARJQFXCOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-30(2)13-14-31-21-8-4-7-20(22(21)23(26)29-31)16-9-11-18(12-10-16)27-24(32)28-19-6-3-5-17(25)15-19/h3-12,15H,13-14H2,1-2H3,(H2,26,29)(H2,27,28,32).
What are the key properties of 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea?
1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 448.96 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 66680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).