tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)

C144H144F18N18O6 — CID 158610675

IUPACtris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)
SMILESCC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/6C24H24F3N3O/c3*1-15-10-23(11-15)12-19(13-23)29-22(31)20-21-17(6-8-28-20)7-9-30(21)14-16-2-4-18(5-3-16)24(25,26)27;3*1-15-8-23(9-15)10-19(11-23)29-22(31)20-13-28-12-17-6-7-30(21(17)20)14-16-2-4-18(5-3-16)24(25,26)27/h3*2-9,15,19H,10-14H2,1H3,(H,29,31);3*2-7,12-13,15,19H,8-11,14H2,1H3,(H,29,31)
InChIKeyHWUKDFFJRYTASD-UHFFFAOYSA-N
MW2564.82 g/mol
LogP32.47
Rot. Bonds24

About tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)

tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) (PubChem CID 158610675) has the molecular formula C144H144F18N18O6 and a molecular weight of 2564.82 g/mol. Its IUPAC name is tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide).

Molecular Properties

Compound Nametris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)
PubChem CID158610675
Molecular FormulaC144H144F18N18O6
Molecular Weight2564.82 g/mol
Exact Mass2563.12
IUPAC Nametris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)
SMILESCC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/6C24H24F3N3O/c3*1-15-10-23(11-15)12-19(13-23)29-22(31)20-21-17(6-8-28-20)7-9-30(21)14-16-2-4-18(5-3-16)24(25,26)27;3*1-15-8-23(9-15)10-19(11-23)29-22(31)20-13-28-12-17-6-7-30(21(17)20)14-16-2-4-18(5-3-16)24(25,26)27/h3*2-9,15,19H,10-14H2,1H3,(H,29,31);3*2-7,12-13,15,19H,8-11,14H2,1H3,(H,29,31)
InChIKeyHWUKDFFJRYTASD-UHFFFAOYSA-N
XLogP32.47
TPSA281.52 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.82
LogP ≤ 532.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) with MolForge

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Related Compounds

5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157236811
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
(1-methylpyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158341234
tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
CID 158382820
tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(1-methylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158680472
(7S)-N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158855925
2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 159554024
tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)
CID 159885812
5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(3-fluoro-1,3-dimethylcyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 159928115
2-[2,4-bis(difluoromethyl)pyrrol-1-yl]-N-[(1S)-1-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160139104

Frequently Asked Questions

What is the IUPAC name of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)?
The IUPAC name of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) (CID 158610675) is tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide).
What is the SMILES notation for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)?
The canonical SMILES for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) is CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cncc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1nccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.
What is the InChIKey of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)?
The InChIKey is HWUKDFFJRYTASD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C24H24F3N3O/c3*1-15-10-23(11-15)12-19(13-23)29-22(31)20-21-17(6-8-28-20)7-9-30(21)14-16-2-4-18(5-3-16)24(25,26)27;3*1-15-8-23(9-15)10-19(11-23)29-22(31)20-13-28-12-17-6-7-30(21(17)20)14-16-2-4-18(5-3-16)24(25,26)27/h3*2-9,15,19H,10-14H2,1H3,(H,29,31);3*2-7,12-13,15,19H,8-11,14H2,1H3,(H,29,31).
What are the key properties of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide)?
tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) has a molecular weight of 2564.82 g/mol, XLogP of 32.47, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carboxamide) is sourced from PubChem (CID 158610675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).