5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide

C21H24FN5O2 — CID 130405197

IUPAC5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1[C@@H]2COC[C@H]1CC(N1C=C(F)Cc3c(C(N)=O)cn(-c4cccnc4)c31)C2
InChIInChI=1S/C21H24FN5O2/c1-25-16-6-15(7-17(25)12-29-11-16)26-9-13(22)5-18-19(20(23)28)10-27(21(18)26)14-3-2-4-24-8-14/h2-4,8-10,15-17H,5-7,11-12H2,1H3,(H2,23,28)/t15?,16-,17+
InChIKeyVDHFKCTYSTUDMK-ALOPSCKCSA-N
MW397.45 g/mol
LogP2.01
Rot. Bonds3

About 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 130405197) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID130405197
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1[C@@H]2COC[C@H]1CC(N1C=C(F)Cc3c(C(N)=O)cn(-c4cccnc4)c31)C2
InChIInChI=1S/C21H24FN5O2/c1-25-16-6-15(7-17(25)12-29-11-16)26-9-13(22)5-18-19(20(23)28)10-27(21(18)26)14-3-2-4-24-8-14/h2-4,8-10,15-17H,5-7,11-12H2,1H3,(H2,23,28)/t15?,16-,17+
InChIKeyVDHFKCTYSTUDMK-ALOPSCKCSA-N
XLogP2.01
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 134814155
2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 140632475
N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 72949550
5-(4-fluorophenyl)-4-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 175770992
2-(2-fluoro-3-methylphenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171948082
6-fluoro-1-methyl-3-oxo-2-(1-pyridin-3-ylpiperidin-4-yl)indazole-4-carboxamide
CID 71239722
1-(3-methylimidazol-4-yl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
CID 126842496
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 171940142
2-(3,4-difluorophenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171947590
(3-ethylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944473
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
furan-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171938762

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 130405197) is 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN1[C@@H]2COC[C@H]1CC(N1C=C(F)Cc3c(C(N)=O)cn(-c4cccnc4)c31)C2.
What is the InChIKey of 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VDHFKCTYSTUDMK-ALOPSCKCSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-25-16-6-15(7-17(25)12-29-11-16)26-9-13(22)5-18-19(20(23)28)10-27(21(18)26)14-3-2-4-24-8-14/h2-4,8-10,15-17H,5-7,11-12H2,1H3,(H2,23,28)/t15?,16-,17+.
What are the key properties of 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-yl-4H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 130405197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).