1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea

C24H25ClN6O — CID 174492332

IUPAC1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea
SMILESCC(C)NCc1ccc(-c2ccc(N(C(N)=O)c3cccc(Cl)c3)cc2)c2c(N)n[nH]c12
InChIInChI=1S/C24H25ClN6O/c1-14(2)28-13-16-8-11-20(21-22(16)29-30-23(21)26)15-6-9-18(10-7-15)31(24(27)32)19-5-3-4-17(25)12-19/h3-12,14,28H,13H2,1-2H3,(H2,27,32)(H3,26,29,30)
InChIKeyDYJJAMVJKKTYTH-UHFFFAOYSA-N
MW448.96 g/mol
LogP5.18
Rot. Bonds6

About 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea

1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea (PubChem CID 174492332) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea
PubChem CID174492332
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea
SMILESCC(C)NCc1ccc(-c2ccc(N(C(N)=O)c3cccc(Cl)c3)cc2)c2c(N)n[nH]c12
InChIInChI=1S/C24H25ClN6O/c1-14(2)28-13-16-8-11-20(21-22(16)29-30-23(21)26)15-6-9-18(10-7-15)31(24(27)32)19-5-3-4-17(25)12-19/h3-12,14,28H,13H2,1-2H3,(H2,27,32)(H3,26,29,30)
InChIKeyDYJJAMVJKKTYTH-UHFFFAOYSA-N
XLogP5.18
TPSA113.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.96
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea with MolForge

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Related Compounds

N-(6-chloro-5-p-tolyl-1H-indazol-3-yl)butyramide
CID 22319511
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 122195163
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 122195173
N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine
CID 9882765
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 10068140
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-N'-phenylurea
CID 10248119
1-(4-(3-amino-7-((4-methylpiperazin-1-yl)methyl)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11178869
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11245809
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylphenyl)urea
CID 11268741
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11314310
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorophenyl)urea
CID 11337894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea (CID 174492332) is 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea is CC(C)NCc1ccc(-c2ccc(N(C(N)=O)c3cccc(Cl)c3)cc2)c2c(N)n[nH]c12.
What is the InChIKey of 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea?
The InChIKey is DYJJAMVJKKTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-14(2)28-13-16-8-11-20(21-22(16)29-30-23(21)26)15-6-9-18(10-7-15)31(24(27)32)19-5-3-4-17(25)12-19/h3-12,14,28H,13H2,1-2H3,(H2,27,32)(H3,26,29,30).
What are the key properties of 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea?
1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea has a molecular weight of 448.96 g/mol, XLogP of 5.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea is sourced from PubChem (CID 174492332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).