5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

C20H19F6N7O — CID 135985526

IUPAC5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C20H19F6N7O/c21-19(22,23)13-1-2-16(29-8-13)33-4-3-32(10-15(33)20(24,25)26)9-12-7-30-31-17(12)14-5-11(6-28-14)18(27)34/h1-2,5-8,15,28H,3-4,9-10H2,(H2,27,34)(H,30,31)/t15-/m0/s1
InChIKeyZEMQWHCIWQWWTG-HNNXBMFYSA-N
MW487.41 g/mol
LogP3.17
Rot. Bonds5

About 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (PubChem CID 135985526) has the molecular formula C20H19F6N7O and a molecular weight of 487.41 g/mol. Its IUPAC name is 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
PubChem CID135985526
Molecular FormulaC20H19F6N7O
Molecular Weight487.41 g/mol
Exact Mass487.16
IUPAC Name5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C20H19F6N7O/c21-19(22,23)13-1-2-16(29-8-13)33-4-3-32(10-15(33)20(24,25)26)9-12-7-30-31-17(12)14-5-11(6-28-14)18(27)34/h1-2,5-8,15,28H,3-4,9-10H2,(H2,27,34)(H,30,31)/t15-/m0/s1
InChIKeyZEMQWHCIWQWWTG-HNNXBMFYSA-N
XLogP3.17
TPSA106.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
Dipyridodiazepinone deriv. 54
CID 5327611
Clk1/2-IN-2
CID 59175616
(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
1-(4-benzoylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729274
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 156825891
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 156825914

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (CID 135985526) is 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is NC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1.
What is the InChIKey of 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZEMQWHCIWQWWTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19F6N7O/c21-19(22,23)13-1-2-16(29-8-13)33-4-3-32(10-15(33)20(24,25)26)9-12-7-30-31-17(12)14-5-11(6-28-14)18(27)34/h1-2,5-8,15,28H,3-4,9-10H2,(H2,27,34)(H,30,31)/t15-/m0/s1.
What are the key properties of 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 487.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 135985526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).