N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

C26H26F3N7O3S — CID 146178430

IUPACN-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCN1CCC(Oc2ncc(NC(=O)N3CCc4sc(Oc5ccnc6[nH]ccc56)nc4C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C26H26F3N7O3S/c1-35-9-4-16(5-10-35)38-23-18(26(27,28)29)12-15(13-32-23)33-24(37)36-11-6-21-19(14-36)34-25(40-21)39-20-3-8-31-22-17(20)2-7-30-22/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3,(H,30,31)(H,33,37)
InChIKeyFLIUZGPMCOFOJK-UHFFFAOYSA-N
MW573.60 g/mol
LogP5.29
Rot. Bonds5

About N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 146178430) has the molecular formula C26H26F3N7O3S and a molecular weight of 573.60 g/mol. Its IUPAC name is N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
PubChem CID146178430
Molecular FormulaC26H26F3N7O3S
Molecular Weight573.60 g/mol
Exact Mass573.18
IUPAC NameN-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCN1CCC(Oc2ncc(NC(=O)N3CCc4sc(Oc5ccnc6[nH]ccc56)nc4C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C26H26F3N7O3S/c1-35-9-4-16(5-10-35)38-23-18(26(27,28)29)12-15(13-32-23)33-24(37)36-11-6-21-19(14-36)34-25(40-21)39-20-3-8-31-22-17(20)2-7-30-22/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3,(H,30,31)(H,33,37)
InChIKeyFLIUZGPMCOFOJK-UHFFFAOYSA-N
XLogP5.29
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide with MolForge

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Related Compounds

[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 175914079
1-[2-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-3-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 166090559
7-[[5-fluoro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-N-[6-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]oxy-5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 146178549
tert-butyl 3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 146275071
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 146178256
4-[[(8R)-8-ethyl-6-[2-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CID 161325988
1-[2-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-3-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]urea
CID 166090583
N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide
CID 59740996
N-[3,5-difluoro-4-[[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]azetidine-1-carboxamide
CID 137362257
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide;trihydrochloride
CID 91826514
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 160865295

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (CID 146178430) is N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is CN1CCC(Oc2ncc(NC(=O)N3CCc4sc(Oc5ccnc6[nH]ccc56)nc4C3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is FLIUZGPMCOFOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O3S/c1-35-9-4-16(5-10-35)38-23-18(26(27,28)29)12-15(13-32-23)33-24(37)36-11-6-21-19(14-36)34-25(40-21)39-20-3-8-31-22-17(20)2-7-30-22/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3,(H,30,31)(H,33,37).
What are the key properties of N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 573.60 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 146178430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).