2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

C24H23F3N6O — CID 163215279

IUPAC2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NCC5CC5)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O/c1-14-2-6-18(9-20(14)24(25,26)27)30-22(34)13-33-12-17(11-29-33)16-5-7-19-21(8-16)31-32-23(19)28-10-15-3-4-15/h2,5-9,11-12,15H,3-4,10,13H2,1H3,(H,30,34)(H2,28,31,32)
InChIKeyGXXYXXRFZGVGEU-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.21
Rot. Bonds7

About 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215279) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215279
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NCC5CC5)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O/c1-14-2-6-18(9-20(14)24(25,26)27)30-22(34)13-33-12-17(11-29-33)16-5-7-19-21(8-16)31-32-23(19)28-10-15-3-4-15/h2,5-9,11-12,15H,3-4,10,13H2,1H3,(H,30,34)(H2,28,31,32)
InChIKeyGXXYXXRFZGVGEU-UHFFFAOYSA-N
XLogP5.21
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
CID 163215261
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539608
N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 56675205
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373154
N-[6-[3,5-dimethyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215254
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215255
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 163215257
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215264
1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]piperidine-4-carboxamide
CID 163215267

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 163215279) is 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NCC5CC5)n[nH]c4c3)cn2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GXXYXXRFZGVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-14-2-6-18(9-20(14)24(25,26)27)30-22(34)13-33-12-17(11-29-33)16-5-7-19-21(8-16)31-32-23(19)28-10-15-3-4-15/h2,5-9,11-12,15H,3-4,10,13H2,1H3,(H,30,34)(H2,28,31,32).
What are the key properties of 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 468.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).