3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide

C24H21F3N6O2 — CID 25175157

IUPAC3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
SMILESCn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cccc21
InChIInChI=1S/C24H21F3N6O2/c1-33-19-7-3-6-18(20(19)21(28)32-33)22(34)30-17-5-2-4-14(12-17)13-29-23(35)31-16-10-8-15(9-11-16)24(25,26)27/h2-12H,13H2,1H3,(H2,28,32)(H,30,34)(H2,29,31,35)
InChIKeyCNQZSPANPDHALU-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.75
Rot. Bonds5

About 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide

3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide (PubChem CID 25175157) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
PubChem CID25175157
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
SMILESCn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cccc21
InChIInChI=1S/C24H21F3N6O2/c1-33-19-7-3-6-18(20(19)21(28)32-33)22(34)30-17-5-2-4-14(12-17)13-29-23(35)31-16-10-8-15(9-11-16)24(25,26)27/h2-12H,13H2,1H3,(H2,28,32)(H,30,34)(H2,29,31,35)
InChIKeyCNQZSPANPDHALU-UHFFFAOYSA-N
XLogP4.75
TPSA114.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
CID 25175324
3-amino-7-methoxy-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide
CID 25174826
4-amino-N-[3-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69162377
1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 151196094
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
3-amino-N-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide
CID 66721624
3-amino-7-methoxy-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide
CID 66721663
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
1-[4-(trifluoromethyl)phenyl]-3-[[6-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-pyridinyl]methyl]urea
CID 122226336
1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 162552273
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide?
The IUPAC name of 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide (CID 25175157) is 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide?
The canonical SMILES for 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide is Cn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cccc21.
What is the InChIKey of 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide?
The InChIKey is CNQZSPANPDHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-33-19-7-3-6-18(20(19)21(28)32-33)22(34)30-17-5-2-4-14(12-17)13-29-23(35)31-16-10-8-15(9-11-16)24(25,26)27/h2-12H,13H2,1H3,(H2,28,32)(H,30,34)(H2,29,31,35).
What are the key properties of 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide?
3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide is sourced from PubChem (CID 25175157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).