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

C25H22F3N5O2 — CID 53375899

IUPACN-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESNc1nccc2c1ccn2-c1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)20-15-16(1-6-22(20)32-11-13-35-14-12-32)24(34)31-17-2-4-18(5-3-17)33-10-8-19-21(33)7-9-30-23(19)29/h1-10,15H,11-14H2,(H2,29,30)(H,31,34)
InChIKeyZQXLHYZPQCKQLL-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.72
Rot. Bonds4

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

N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 53375899) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
PubChem CID53375899
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC NameN-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
SMILESNc1nccc2c1ccn2-c1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)20-15-16(1-6-22(20)32-11-13-35-14-12-32)24(34)31-17-2-4-18(5-3-17)33-10-8-19-21(33)7-9-30-23(19)29/h1-10,15H,11-14H2,(H2,29,30)(H,31,34)
InChIKeyZQXLHYZPQCKQLL-UHFFFAOYSA-N
XLogP4.72
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 46890251
methyl 1-[4-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxylate
CID 46224238
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
CID 164889105
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
N-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 45483746
3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673274
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 155809874
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
3-methoxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 16761441

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (CID 53375899) is N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is Nc1nccc2c1ccn2-c1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
The InChIKey is ZQXLHYZPQCKQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c26-25(27,28)20-15-16(1-6-22(20)32-11-13-35-14-12-32)24(34)31-17-2-4-18(5-3-17)33-10-8-19-21(33)7-9-30-23(19)29/h1-10,15H,11-14H2,(H2,29,30)(H,31,34).
What are the key properties of N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?
N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53375899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).