4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide

C20H17FN4O — CID 143680469

IUPAC4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide
SMILESO=C(NC1=NC=C(Cc2c[nH]c3ncccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c21-16-6-4-14(5-7-16)20(26)25-18-8-3-13(11-23-18)10-15-12-24-19-17(15)2-1-9-22-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,22,24)(H,23,25,26)
InChIKeyOZXDTFKJJBPEJJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.75
Rot. Bonds3

About 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide

4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide (PubChem CID 143680469) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide
PubChem CID143680469
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide
SMILESO=C(NC1=NC=C(Cc2c[nH]c3ncccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c21-16-6-4-14(5-7-16)20(26)25-18-8-3-13(11-23-18)10-15-12-24-19-17(15)2-1-9-22-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,22,24)(H,23,25,26)
InChIKeyOZXDTFKJJBPEJJ-UHFFFAOYSA-N
XLogP3.75
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide (CID 143680469) is 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide is O=C(NC1=NC=C(Cc2c[nH]c3ncccc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide?
The InChIKey is OZXDTFKJJBPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-6-4-14(5-7-16)20(26)25-18-8-3-13(11-23-18)10-15-12-24-19-17(15)2-1-9-22-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,22,24)(H,23,25,26).
What are the key properties of 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide?
4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide is sourced from PubChem (CID 143680469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).