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

C22H25FN4O — CID 10959868

IUPAC4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C22H25FN4O/c1-2-11-27-12-9-15(10-13-27)18-14-24-19-7-8-20(25-21(18)19)26-22(28)16-3-5-17(23)6-4-16/h3-8,14-15,24H,2,9-13H2,1H3,(H,25,26,28)
InChIKeyAGNQRCZHJFDENL-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.54
Rot. Bonds5

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

4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 10959868) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
PubChem CID10959868
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C22H25FN4O/c1-2-11-27-12-9-15(10-13-27)18-14-24-19-7-8-20(25-21(18)19)26-22(28)16-3-5-17(23)6-4-16/h3-8,14-15,24H,2,9-13H2,1H3,(H,25,26,28)
InChIKeyAGNQRCZHJFDENL-UHFFFAOYSA-N
XLogP4.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (CID 10959868) is 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is CCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is AGNQRCZHJFDENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-2-11-27-12-9-15(10-13-27)18-14-24-19-7-8-20(25-21(18)19)26-22(28)16-3-5-17(23)6-4-16/h3-8,14-15,24H,2,9-13H2,1H3,(H,25,26,28).
What are the key properties of 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 10959868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).