N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

C22H17FN4O — CID 164603267

IUPACN-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2cccc(F)c21)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H17FN4O/c23-17-3-1-2-13-4-7-19(20(13)17)27-22(28)14-5-6-18(26-12-14)15-8-10-24-21-16(15)9-11-25-21/h1-3,5-6,8-12,19H,4,7H2,(H,24,25)(H,27,28)
InChIKeyFLFOYWCDULIPOV-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.18
Rot. Bonds3

About N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603267) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
PubChem CID164603267
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2cccc(F)c21)c1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C22H17FN4O/c23-17-3-1-2-13-4-7-19(20(13)17)27-22(28)14-5-6-18(26-12-14)15-8-10-24-21-16(15)9-11-25-21/h1-3,5-6,8-12,19H,4,7H2,(H,24,25)(H,27,28)
InChIKeyFLFOYWCDULIPOV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(7-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-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603267) is N-(7-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-(7-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-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is O=C(NC1CCc2cccc(F)c21)c1ccc(-c2ccnc3[nH]ccc23)nc1.
What is the InChIKey of N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is FLFOYWCDULIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-17-3-1-2-13-4-7-19(20(13)17)27-22(28)14-5-6-18(26-12-14)15-8-10-24-21-16(15)9-11-25-21/h1-3,5-6,8-12,19H,4,7H2,(H,24,25)(H,27,28).
What are the key properties of N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
N-(7-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-(7-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 164603267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).