benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid

C63H60F6N12O7Si — CID 160621873

IUPACbenzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESC.CC(C)(C)[Si](C)(C)n1cc(-c2cc(CNC(=O)OCc3ccccc3)[nH]n2)c2cccnc21.O=C(NCc1cc(-c2c[nH]c3ncccc23)n[nH]1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C25H31N5O2Si.C24H17F3N6O2.C13H8F3NO3.CH4/c1-25(2,3)33(4,5)30-16-21(20-12-9-13-26-23(20)30)22-14-19(28-29-22)15-27-24(31)32-17-18-10-7-6-8-11-18;25-18-7-13(8-19(26)21(18)27)12-33-6-2-4-16(24(33)35)23(34)30-10-14-9-20(32-31-14)17-11-29-22-15(17)3-1-5-28-22;14-9-4-7(5-10(15)11(9)16)6-17-3-1-2-8(12(17)18)13(19)20;/h6-14,16H,15,17H2,1-5H3,(H,27,31)(H,28,29);1-9,11H,10,12H2,(H,28,29)(H,30,34)(H,31,32);1-5H,6H2,(H,19,20);1H4
InChIKeyRGUPNXURWUKRFU-UHFFFAOYSA-N
MW1239.32 g/mol
LogP11.86
Rot. Bonds15

About benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid

benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 160621873) has the molecular formula C63H60F6N12O7Si and a molecular weight of 1239.32 g/mol. Its IUPAC name is benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namebenzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid
PubChem CID160621873
Molecular FormulaC63H60F6N12O7Si
Molecular Weight1239.32 g/mol
Exact Mass1238.44
IUPAC Namebenzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESC.CC(C)(C)[Si](C)(C)n1cc(-c2cc(CNC(=O)OCc3ccccc3)[nH]n2)c2cccnc21.O=C(NCc1cc(-c2c[nH]c3ncccc23)n[nH]1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C25H31N5O2Si.C24H17F3N6O2.C13H8F3NO3.CH4/c1-25(2,3)33(4,5)30-16-21(20-12-9-13-26-23(20)30)22-14-19(28-29-22)15-27-24(31)32-17-18-10-7-6-8-11-18;25-18-7-13(8-19(26)21(18)27)12-33-6-2-4-16(24(33)35)23(34)30-10-14-9-20(32-31-14)17-11-29-22-15(17)3-1-5-28-22;14-9-4-7(5-10(15)11(9)16)6-17-3-1-2-8(12(17)18)13(19)20;/h6-14,16H,15,17H2,1-5H3,(H,27,31)(H,28,29);1-9,11H,10,12H2,(H,28,29)(H,30,34)(H,31,32);1-5H,6H2,(H,19,20);1H4
InChIKeyRGUPNXURWUKRFU-UHFFFAOYSA-N
XLogP11.86
TPSA252.59 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001239.32
LogP ≤ 511.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362697
tert-butyl 4-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]piperidine-1-carboxylate
CID 123493332
2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665
tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 160823406
benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 137301297
benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate
CID 90278547
1-[(3,4-difluorophenyl)methyl]-N-[(1R)-3-(methylamino)-3-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propyl]-2-oxopyridine-3-carboxamide;prop-2-enyl (3R)-3-[4-(7H-cyclopenta[b]pyridin-5-yl)-1,3-thiazol-2-yl]-3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate
CID 161078081
3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]propanoic acid
CID 68607888
N-[[3-[1-(benzenesulfonyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362414
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carbonitrile;N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-bromopyridine-2-carbonitrile;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 158411472

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid (CID 160621873) is benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid is C.CC(C)(C)[Si](C)(C)n1cc(-c2cc(CNC(=O)OCc3ccccc3)[nH]n2)c2cccnc21.O=C(NCc1cc(-c2c[nH]c3ncccc23)n[nH]1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is RGUPNXURWUKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2Si.C24H17F3N6O2.C13H8F3NO3.CH4/c1-25(2,3)33(4,5)30-16-21(20-12-9-13-26-23(20)30)22-14-19(28-29-22)15-27-24(31)32-17-18-10-7-6-8-11-18;25-18-7-13(8-19(26)21(18)27)12-33-6-2-4-16(24(33)35)23(34)30-10-14-9-20(32-31-14)17-11-29-22-15(17)3-1-5-28-22;14-9-4-7(5-10(15)11(9)16)6-17-3-1-2-8(12(17)18)13(19)20;/h6-14,16H,15,17H2,1-5H3,(H,27,31)(H,28,29);1-9,11H,10,12H2,(H,28,29)(H,30,34)(H,31,32);1-5H,6H2,(H,19,20);1H4.
What are the key properties of benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid?
benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 1239.32 g/mol, XLogP of 11.86, 15 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrazol-5-yl]methyl]carbamate;methane;2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-5-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160621873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).