US10377753, Example 7

C19H17ClFN3O2 — CID 124175877

IUPAC2-[3-chloro-6-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESC1COCCN1C(=O)CN2C=C(C3=C2C=C(C=N3)C4=CC=C(C=C4)F)Cl
InChIInChI=1S/C19H17ClFN3O2/c20-16-11-24(12-18(25)23-5-7-26-8-6-23)17-9-14(10-22-19(16)17)13-1-3-15(21)4-2-13/h1-4,9-11H,5-8,12H2
InChIKeyYFABUVMCGFODFQ-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.60
Rot. Bonds3

About US10377753, Example 7

US10377753, Example 7 (PubChem CID 124175877) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[3-chloro-6-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound NameUS10377753, Example 7
PubChem CID124175877
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.80 g/mol
Exact Mass373.10
IUPAC Name2-[3-chloro-6-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESC1COCCN1C(=O)CN2C=C(C3=C2C=C(C=N3)C4=CC=C(C=C4)F)Cl
InChIInChI=1S/C19H17ClFN3O2/c20-16-11-24(12-18(25)23-5-7-26-8-6-23)17-9-14(10-22-19(16)17)13-1-3-15(21)4-2-13/h1-4,9-11H,5-8,12H2
InChIKeyYFABUVMCGFODFQ-UHFFFAOYSA-N
XLogP2.60
TPSA47.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity497

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CID 145925651
ML300-based SC inhibitor 34
CID 156027230
4-[3-(4-fluorophenyl)-1-(1-methoxyethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 23647183
Sdccgrch-0000111.P001
CID 11825589
US10377753, Example 3
CID 124175850
US10377753, Example 34
CID 124175884
US10377753, Example 67
CID 124175917
US10377753, Example 150
CID 124176000
US10377753, Example 175
CID 124176028
US10377753, Example 193
CID 124176043
US10377753, Example 349
CID 124176200
US10377753, Example 379
CID 124176233

Frequently Asked Questions

What is the IUPAC name of US10377753, Example 7?
The IUPAC name of US10377753, Example 7 (CID 124175877) is 2-[3-chloro-6-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for US10377753, Example 7?
The canonical SMILES for US10377753, Example 7 is C1COCCN1C(=O)CN2C=C(C3=C2C=C(C=N3)C4=CC=C(C=C4)F)Cl.
What is the InChIKey of US10377753, Example 7?
The InChIKey is YFABUVMCGFODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c20-16-11-24(12-18(25)23-5-7-26-8-6-23)17-9-14(10-22-19(16)17)13-1-3-15(21)4-2-13/h1-4,9-11H,5-8,12H2.
What are the key properties of US10377753, Example 7?
US10377753, Example 7 has a molecular weight of 373.80 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for US10377753, Example 7 is sourced from PubChem (CID 124175877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).