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

C32H26F3N5O3 — CID 46890251

IUPACN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O3/c33-32(34,35)26-19-22(9-10-28(26)39-15-17-43-18-16-39)31(42)37-23-7-4-8-24(20-23)40-14-12-25-27(40)11-13-36-29(25)38-30(41)21-5-2-1-3-6-21/h1-14,19-20H,15-18H2,(H,37,42)(H,36,38,41)
InChIKeyFDCXXPBBHPICRU-UHFFFAOYSA-N
MW585.59 g/mol
LogP6.39
Rot. Bonds6

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

N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 46890251) 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]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
PubChem CID46890251
Molecular FormulaC32H26F3N5O3
Molecular Weight585.59 g/mol
Exact Mass585.20
IUPAC NameN-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O3/c33-32(34,35)26-19-22(9-10-28(26)39-15-17-43-18-16-39)31(42)37-23-7-4-8-24(20-23)40-14-12-25-27(40)11-13-36-29(25)38-30(41)21-5-2-1-3-6-21/h1-14,19-20H,15-18H2,(H,37,42)(H,36,38,41)
InChIKeyFDCXXPBBHPICRU-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]-4-morpholin-4-yl-3-(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

Related Compounds

N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 53375899
N-[1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
CID 70696569
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
CID 164889105
methyl 1-[4-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxylate
CID 46224238
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174642582
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60524314

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (CID 46890251) is N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The InChIKey is FDCXXPBBHPICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O3/c33-32(34,35)26-19-22(9-10-28(26)39-15-17-43-18-16-39)31(42)37-23-7-4-8-24(20-23)40-14-12-25-27(40)11-13-36-29(25)38-30(41)21-5-2-1-3-6-21/h1-14,19-20H,15-18H2,(H,37,42)(H,36,38,41).
What are the key properties of N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(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]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46890251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).