5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide

C20H18F3N7O2 — CID 164615810

IUPAC5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C20H18F3N7O2/c1-8-12(17-11-4-3-10(20(21,22)23)5-14(11)28-30-17)7-25-16(8)19(32)26-9(2)13-6-15(18(24)31)29-27-13/h3-7,9,25H,1-2H3,(H2,24,31)(H,26,32)(H,27,29)(H,28,30)
InChIKeyMQWMIHZIOIOMNP-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.20
Rot. Bonds5

About 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide

5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 164615810) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID164615810
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C20H18F3N7O2/c1-8-12(17-11-4-3-10(20(21,22)23)5-14(11)28-30-17)7-25-16(8)19(32)26-9(2)13-6-15(18(24)31)29-27-13/h3-7,9,25H,1-2H3,(H2,24,31)(H,26,32)(H,27,29)(H,28,30)
InChIKeyMQWMIHZIOIOMNP-UHFFFAOYSA-N
XLogP3.20
TPSA145.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide (CID 164615810) is 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide is Cc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1cc(C(N)=O)n[nH]1.
What is the InChIKey of 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MQWMIHZIOIOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c1-8-12(17-11-4-3-10(20(21,22)23)5-14(11)28-30-17)7-25-16(8)19(32)26-9(2)13-6-15(18(24)31)29-27-13/h3-7,9,25H,1-2H3,(H2,24,31)(H,26,32)(H,27,29)(H,28,30).
What are the key properties of 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 445.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164615810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).