N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide

C24H17ClF3N7O — CID 163215252

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc3c(Nc4cccnc4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H17ClF3N7O/c25-20-6-4-16(9-19(20)24(26,27)28)31-22(36)13-35-12-15(10-30-35)14-3-5-18-21(8-14)33-34-23(18)32-17-2-1-7-29-11-17/h1-12H,13H2,(H,31,36)(H2,32,33,34)
InChIKeyUHBRVNLCDZZOLF-UHFFFAOYSA-N
MW511.90 g/mol
LogP5.88
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide (PubChem CID 163215252) has the molecular formula C24H17ClF3N7O and a molecular weight of 511.90 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
PubChem CID163215252
Molecular FormulaC24H17ClF3N7O
Molecular Weight511.90 g/mol
Exact Mass511.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc3c(Nc4cccnc4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H17ClF3N7O/c25-20-6-4-16(9-19(20)24(26,27)28)31-22(36)13-35-12-15(10-30-35)14-3-5-18-21(8-14)33-34-23(18)32-17-2-1-7-29-11-17/h1-12H,13H2,(H,31,36)(H2,32,33,34)
InChIKeyUHBRVNLCDZZOLF-UHFFFAOYSA-N
XLogP5.88
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.90
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloropyridin-3-yl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 9883254
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587582
8-[2-amino-5-(3-amino-1H-indazol-6-yl)-3-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 74221936
8-[3-chloro-5-[3-(methylamino)-1H-indazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408140
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[3-(methylsulfonylmethyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215253
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
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215269
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[4-methyl-3-(methylsulfamoyl)anilino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215271
N-[6-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215276

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide (CID 163215252) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc3c(Nc4cccnc4)n[nH]c3c2)cn1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
The InChIKey is UHBRVNLCDZZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N7O/c25-20-6-4-16(9-19(20)24(26,27)28)31-22(36)13-35-12-15(10-30-35)14-3-5-18-21(8-14)33-34-23(18)32-17-2-1-7-29-11-17/h1-12H,13H2,(H,31,36)(H2,32,33,34).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 511.90 g/mol, XLogP of 5.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 163215252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).