N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

C22H17FN4O — CID 164603457

IUPACN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H17FN4O/c23-15-4-1-13-2-6-20(18(13)11-15)27-22(28)14-3-5-19(26-12-14)16-7-9-24-21-17(16)8-10-25-21/h1,3-5,7-12,20H,2,6H2,(H,24,25)(H,27,28)/t20-/m0/s1
InChIKeyXGNWCSJPOJKZSV-FQEVSTJZSA-N
MW372.40 g/mol
LogP4.18
Rot. Bonds3

About N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603457) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
PubChem CID164603457
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H17FN4O/c23-15-4-1-13-2-6-20(18(13)11-15)27-22(28)14-3-5-19(26-12-14)16-7-9-24-21-17(16)8-10-25-21/h1,3-5,7-12,20H,2,6H2,(H,24,25)(H,27,28)/t20-/m0/s1
InChIKeyXGNWCSJPOJKZSV-FQEVSTJZSA-N
XLogP4.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603267
N-[(1S,3S)-7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603273
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603219
N-[(2S,3S)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603408
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95908034
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 97062336
N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95614827
N-[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 171443168
4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 166375879
N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
CID 167797561

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603457) is N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2ccnc3[nH]ccc23)nc1.
What is the InChIKey of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is XGNWCSJPOJKZSV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-15-4-1-13-2-6-20(18(13)11-15)27-22(28)14-3-5-19(26-12-14)16-7-9-24-21-17(16)8-10-25-21/h1,3-5,7-12,20H,2,6H2,(H,24,25)(H,27,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164603457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).