N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

C24H17ClFN5O3 — CID 68812259

IUPACN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C24H16FN5O3.ClH/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21;/h1-12H,13H2,(H,27,28)(H,29,31);1H
InChIKeyGBDVUYWQLYIJGR-UHFFFAOYSA-N
MW477.88 g/mol
LogP4.93
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (PubChem CID 68812259) has the molecular formula C24H17ClFN5O3 and a molecular weight of 477.88 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
PubChem CID68812259
Molecular FormulaC24H17ClFN5O3
Molecular Weight477.88 g/mol
Exact Mass477.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C24H16FN5O3.ClH/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21;/h1-12H,13H2,(H,27,28)(H,29,31);1H
InChIKeyGBDVUYWQLYIJGR-UHFFFAOYSA-N
XLogP4.93
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (CID 68812259) is N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The InChIKey is GBDVUYWQLYIJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O3.ClH/c25-19-7-14(20-11-26-23-6-2-15(12-30(20)23)16-9-27-28-10-16)1-4-18(19)24(31)29-17-3-5-21-22(8-17)33-13-32-21;/h1-12H,13H2,(H,27,28)(H,29,31);1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride has a molecular weight of 477.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 68812259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).