2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C31H26F4N6O3 — CID 130423263

IUPAC2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc4c3)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C31H26F4N6O3/c1-43-30-24(31(33,34)35)14-22(17-38-30)39-28(42)11-18-2-4-23(25(32)10-18)21-12-20-13-26(40-29(20)37-16-21)19-3-5-27(36-15-19)41-6-8-44-9-7-41/h2-5,10,12-17H,6-9,11H2,1H3,(H,37,40)(H,39,42)
InChIKeyHDHBPYVSWHPTJM-UHFFFAOYSA-N
MW606.58 g/mol
LogP5.87
Rot. Bonds7

About 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423263) has the molecular formula C31H26F4N6O3 and a molecular weight of 606.58 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423263
Molecular FormulaC31H26F4N6O3
Molecular Weight606.58 g/mol
Exact Mass606.20
IUPAC Name2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc4c3)c(F)c2)cc1C(F)(F)F
InChIInChI=1S/C31H26F4N6O3/c1-43-30-24(31(33,34)35)14-22(17-38-30)39-28(42)11-18-2-4-23(25(32)10-18)21-12-20-13-26(40-29(20)37-16-21)19-3-5-27(36-15-19)41-6-8-44-9-7-41/h2-5,10,12-17H,6-9,11H2,1H3,(H,37,40)(H,39,42)
InChIKeyHDHBPYVSWHPTJM-UHFFFAOYSA-N
XLogP5.87
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.58
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423263) is 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ncc(NC(=O)Cc2ccc(-c3cnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc4c3)c(F)c2)cc1C(F)(F)F.
What is the InChIKey of 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is HDHBPYVSWHPTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F4N6O3/c1-43-30-24(31(33,34)35)14-22(17-38-30)39-28(42)11-18-2-4-23(25(32)10-18)21-12-20-13-26(40-29(20)37-16-21)19-3-5-27(36-15-19)41-6-8-44-9-7-41/h2-5,10,12-17H,6-9,11H2,1H3,(H,37,40)(H,39,42).
What are the key properties of 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 606.58 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).