1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H19FN4O — CID 175473015

IUPAC1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2cc(-c3ccccc3)ccc2C1c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C23H19FN4O/c24-17-11-19-20(13-27-22(19)26-12-17)21-18-7-6-15(14-4-2-1-3-5-14)10-16(18)8-9-28(21)23(25)29/h1-7,10-13,21H,8-9H2,(H2,25,29)(H,26,27)
InChIKeyFAMBTORQCJVDEV-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.40
Rot. Bonds2

About 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 175473015) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID175473015
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2cc(-c3ccccc3)ccc2C1c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C23H19FN4O/c24-17-11-19-20(13-27-22(19)26-12-17)21-18-7-6-15(14-4-2-1-3-5-14)10-16(18)8-9-28(21)23(25)29/h1-7,10-13,21H,8-9H2,(H2,25,29)(H,26,27)
InChIKeyFAMBTORQCJVDEV-UHFFFAOYSA-N
XLogP4.40
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 175473015) is 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)N1CCc2cc(-c3ccccc3)ccc2C1c1c[nH]c2ncc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is FAMBTORQCJVDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-17-11-19-20(13-27-22(19)26-12-17)21-18-7-6-15(14-4-2-1-3-5-14)10-16(18)8-9-28(21)23(25)29/h1-7,10-13,21H,8-9H2,(H2,25,29)(H,26,27).
What are the key properties of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 175473015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).