molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide

C17H18F3N3O — CID 160642288

IUPACmolecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cccc(-c2ccnc3[nH]ccc23)c1.[H][H].[H][H]
InChIInChI=1S/C17H14F3N3O.2H2/c18-17(19,20)6-9-23-16(24)12-3-1-2-11(10-12)13-4-7-21-15-14(13)5-8-22-15;;/h1-5,7-8,10H,6,9H2,(H,21,22)(H,23,24);2*1H
InChIKeyRJIJEIKDGWQDCP-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.40
Rot. Bonds4

About molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide

molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 160642288) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Namemolecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID160642288
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Namemolecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cccc(-c2ccnc3[nH]ccc23)c1.[H][H].[H][H]
InChIInChI=1S/C17H14F3N3O.2H2/c18-17(19,20)6-9-23-16(24)12-3-1-2-11(10-12)13-4-7-21-15-14(13)5-8-22-15;;/h1-5,7-8,10H,6,9H2,(H,21,22)(H,23,24);2*1H
InChIKeyRJIJEIKDGWQDCP-UHFFFAOYSA-N
XLogP4.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483025
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 58897016
molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 160888789
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803135
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide (CID 160642288) is molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1cccc(-c2ccnc3[nH]ccc23)c1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is RJIJEIKDGWQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O.2H2/c18-17(19,20)6-9-23-16(24)12-3-1-2-11(10-12)13-4-7-21-15-14(13)5-8-22-15;;/h1-5,7-8,10H,6,9H2,(H,21,22)(H,23,24);2*1H.
What are the key properties of molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide?
molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 160642288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).