2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C23H18F2N4O3 — CID 66605284

IUPAC2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(F)c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H18F2N4O3/c24-16-4-2-12(9-17(16)25)18-11-15(22(26)30)21-20(27-18)14-3-1-13(10-19(14)28-21)23(31)29-5-7-32-8-6-29/h1-4,9-11,28H,5-8H2,(H2,26,30)
InChIKeyCGAQZAYPPWLAFW-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.23
Rot. Bonds3

About 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605284) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605284
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(F)c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H18F2N4O3/c24-16-4-2-12(9-17(16)25)18-11-15(22(26)30)21-20(27-18)14-3-1-13(10-19(14)28-21)23(31)29-5-7-32-8-6-29/h1-4,9-11,28H,5-8H2,(H2,26,30)
InChIKeyCGAQZAYPPWLAFW-UHFFFAOYSA-N
XLogP3.23
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605284) is 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(F)c(F)c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is CGAQZAYPPWLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c24-16-4-2-12(9-17(16)25)18-11-15(22(26)30)21-20(27-18)14-3-1-13(10-19(14)28-21)23(31)29-5-7-32-8-6-29/h1-4,9-11,28H,5-8H2,(H2,26,30).
What are the key properties of 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).