N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C19H14F4N4O2 — CID 176505574

IUPACN-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CC(F)C2)cc(C(F)(F)F)c1)c1c[nH]c2cccnc12
InChIInChI=1S/C19H14F4N4O2/c20-12-8-27(9-12)18(29)10-4-11(19(21,22)23)6-13(5-10)26-17(28)14-7-25-15-2-1-3-24-16(14)15/h1-7,12,25H,8-9H2,(H,26,28)
InChIKeyUCDLZYUGGVZWTP-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.63
Rot. Bonds3

About N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 176505574) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID176505574
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC NameN-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CC(F)C2)cc(C(F)(F)F)c1)c1c[nH]c2cccnc12
InChIInChI=1S/C19H14F4N4O2/c20-12-8-27(9-12)18(29)10-4-11(19(21,22)23)6-13(5-10)26-17(28)14-7-25-15-2-1-3-24-16(14)15/h1-7,12,25H,8-9H2,(H,26,28)
InChIKeyUCDLZYUGGVZWTP-UHFFFAOYSA-N
XLogP3.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)phenyl]urea
CID 141145769
N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 176504859
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-[(4-chloro-3-hydroxyphenyl)methyl]-4-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 87825458
1-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 70317966
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
5-(2-aminopyrimidin-5-yl)-2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]benzamide
CID 70860513
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetate
CID 22476269
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 176505574) is N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is O=C(Nc1cc(C(=O)N2CC(F)C2)cc(C(F)(F)F)c1)c1c[nH]c2cccnc12.
What is the InChIKey of N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is UCDLZYUGGVZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-12-8-27(9-12)18(29)10-4-11(19(21,22)23)6-13(5-10)26-17(28)14-7-25-15-2-1-3-24-16(14)15/h1-7,12,25H,8-9H2,(H,26,28).
What are the key properties of N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroazetidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 176505574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).