2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide

C50H50Cl2F4N10O5Si — CID 159450850

IUPAC2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(F)c(F)cc1-c1c[nH]c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(F)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C28H32ClF2N5O3Si.C22H18ClF2N5O2/c1-35(2)28(37)18-9-16(12-33-26(18)32)19-13-34-27-24(25(19)29)20(14-36(27)15-39-7-8-40(4,5)6)17-10-21(30)22(31)11-23(17)38-3;1-30(2)22(31)12-4-10(7-27-20(12)26)13-8-28-21-18(19(13)23)14(9-29-21)11-5-15(24)16(25)6-17(11)32-3/h9-14H,7-8,15H2,1-6H3,(H2,32,33);4-9H,1-3H3,(H2,26,27)(H,28,29)
InChIKeyLTIXMWVBRJFMIE-UHFFFAOYSA-N
MW1046.00 g/mol
LogP10.82
Rot. Bonds13

About 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide

2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 159450850) has the molecular formula C50H50Cl2F4N10O5Si and a molecular weight of 1046.00 g/mol. Its IUPAC name is 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID159450850
Molecular FormulaC50H50Cl2F4N10O5Si
Molecular Weight1046.00 g/mol
Exact Mass1044.30
IUPAC Name2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(F)c(F)cc1-c1c[nH]c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(F)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C28H32ClF2N5O3Si.C22H18ClF2N5O2/c1-35(2)28(37)18-9-16(12-33-26(18)32)19-13-34-27-24(25(19)29)20(14-36(27)15-39-7-8-40(4,5)6)17-10-21(30)22(31)11-23(17)38-3;1-30(2)22(31)12-4-10(7-27-20(12)26)13-8-28-21-18(19(13)23)14(9-29-21)11-5-15(24)16(25)6-17(11)32-3/h9-14H,7-8,15H2,1-6H3,(H2,32,33);4-9H,1-3H3,(H2,26,27)(H,28,29)
InChIKeyLTIXMWVBRJFMIE-UHFFFAOYSA-N
XLogP10.82
TPSA192.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.00
LogP ≤ 510.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
5-[4-chloro-3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 25123908
N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166911
2-amino-5-[4-chloro-3-(4-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 57537457
2-Amino-5-[4-chloro-3-(4,5-difluoro-2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-nicotinamide
CID 57537481
2-amino-5-[4-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 57537492
2-Amino-5-[4-chloro-3-(4,5-difluoro-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-nicotinamide
CID 57537536
5-[4-chloro-3-(5-fluoro-2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-nicotinic acid ethyl ester
CID 57537546
2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 57537561
5-[4-chloro-3-(5-fluoro-2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-nicotinamide
CID 57537565
2-amino-5-[4-chloro-3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 57537572
5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 57537581

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide (CID 159450850) is 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(F)c(F)cc1-c1c[nH]c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(F)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.
What is the InChIKey of 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LTIXMWVBRJFMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClF2N5O3Si.C22H18ClF2N5O2/c1-35(2)28(37)18-9-16(12-33-26(18)32)19-13-34-27-24(25(19)29)20(14-36(27)15-39-7-8-40(4,5)6)17-10-21(30)22(31)11-23(17)38-3;1-30(2)22(31)12-4-10(7-27-20(12)26)13-8-28-21-18(19(13)23)14(9-29-21)11-5-15(24)16(25)6-17(11)32-3/h9-14H,7-8,15H2,1-6H3,(H2,32,33);4-9H,1-3H3,(H2,26,27)(H,28,29).
What are the key properties of 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide?
2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 1046.00 g/mol, XLogP of 10.82, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-5-[4-chloro-3-(4,5-difluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 159450850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).