1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea

C15H11ClF3N5O — CID 150225133

IUPAC1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea
SMILESCn1nc(NC(=O)Nc2ccnc(Cl)c2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11ClF3N5O/c1-24-11-3-2-8(15(17,18)19)6-10(11)13(23-24)22-14(25)21-9-4-5-20-12(16)7-9/h2-7H,1H3,(H2,20,21,22,23,25)
InChIKeyFUHKLVSZEYLPPJ-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.28
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea

1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea (PubChem CID 150225133) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea
PubChem CID150225133
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea
SMILESCn1nc(NC(=O)Nc2ccnc(Cl)c2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11ClF3N5O/c1-24-11-3-2-8(15(17,18)19)6-10(11)13(23-24)22-14(25)21-9-4-5-20-12(16)7-9/h2-7H,1H3,(H2,20,21,22,23,25)
InChIKeyFUHKLVSZEYLPPJ-UHFFFAOYSA-N
XLogP4.28
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyrazin-3-yl]-2,2,2-trifluoroacetamide
CID 294775
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4138917
N-(6-chloropyridin-3-yl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 9883254
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11523735
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11625750
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chlorophenyl)urea
CID 11710909
N-[6-chloro-5-(4-pyridyl)-1H-indazol-3-yl]butanamide
CID 22319680
1-[1-[4-(Trifluoromethyl)phenyl]-3-(4-pyridinyl)-1H-pyrazole-5-yl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 44359182
[4-[2-(4-Chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675755
1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554729
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554730
1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555837

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea (CID 150225133) is 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea is Cn1nc(NC(=O)Nc2ccnc(Cl)c2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea?
The InChIKey is FUHKLVSZEYLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c1-24-11-3-2-8(15(17,18)19)6-10(11)13(23-24)22-14(25)21-9-4-5-20-12(16)7-9/h2-7H,1H3,(H2,20,21,22,23,25).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea?
1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea has a molecular weight of 369.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea is sourced from PubChem (CID 150225133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).