N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C32H26F3N5O3 — CID 70686146

IUPACN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O3/c33-32(34,35)23-17-22(18-26(19-23)39-13-15-43-16-14-39)31(42)37-24-7-4-8-25(20-24)40-12-10-27-28(40)9-11-36-29(27)38-30(41)21-5-2-1-3-6-21/h1-12,17-20H,13-16H2,(H,37,42)(H,36,38,41)
InChIKeyNOHJUDQLISYZGE-UHFFFAOYSA-N
MW585.59 g/mol
LogP6.39
Rot. Bonds6

About N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 70686146) has the molecular formula C32H26F3N5O3 and a molecular weight of 585.59 g/mol. Its IUPAC name is N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID70686146
Molecular FormulaC32H26F3N5O3
Molecular Weight585.59 g/mol
Exact Mass585.20
IUPAC NameN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O3/c33-32(34,35)23-17-22(18-26(19-23)39-13-15-43-16-14-39)31(42)37-24-7-4-8-25(20-24)40-12-10-27-28(40)9-11-36-29(27)38-30(41)21-5-2-1-3-6-21/h1-12,17-20H,13-16H2,(H,37,42)(H,36,38,41)
InChIKeyNOHJUDQLISYZGE-UHFFFAOYSA-N
XLogP6.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.59
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 70686146) is N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is NOHJUDQLISYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O3/c33-32(34,35)23-17-22(18-26(19-23)39-13-15-43-16-14-39)31(42)37-24-7-4-8-25(20-24)40-12-10-27-28(40)9-11-36-29(27)38-30(41)21-5-2-1-3-6-21/h1-12,17-20H,13-16H2,(H,37,42)(H,36,38,41).
What are the key properties of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 585.59 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70686146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).