N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide

C23H15FN6O3 — CID 23537771

IUPACN-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESO=C(Nc1ccc2c(n1)OCO2)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1F
InChIInChI=1S/C23H15FN6O3/c24-17-8-15(30-11-25-18-4-1-13(7-19(18)30)14-9-26-27-10-14)2-3-16(17)22(31)28-21-6-5-20-23(29-21)33-12-32-20/h1-11H,12H2,(H,26,27)(H,28,29,31)
InChIKeyDTCWVZOLYPABGM-UHFFFAOYSA-N
MW442.41 g/mol
LogP3.93
Rot. Bonds4

About N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide

N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide (PubChem CID 23537771) has the molecular formula C23H15FN6O3 and a molecular weight of 442.41 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
PubChem CID23537771
Molecular FormulaC23H15FN6O3
Molecular Weight442.41 g/mol
Exact Mass442.12
IUPAC NameN-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESO=C(Nc1ccc2c(n1)OCO2)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1F
InChIInChI=1S/C23H15FN6O3/c24-17-8-15(30-11-25-18-4-1-13(7-19(18)30)14-9-26-27-10-14)2-3-16(17)22(31)28-21-6-5-20-23(29-21)33-12-32-20/h1-11H,12H2,(H,26,27)(H,28,29,31)
InChIKeyDTCWVZOLYPABGM-UHFFFAOYSA-N
XLogP3.93
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The IUPAC name of N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide (CID 23537771) is N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide is O=C(Nc1ccc2c(n1)OCO2)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1F.
What is the InChIKey of N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The InChIKey is DTCWVZOLYPABGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O3/c24-17-8-15(30-11-25-18-4-1-13(7-19(18)30)14-9-26-27-10-14)2-3-16(17)22(31)28-21-6-5-20-23(29-21)33-12-32-20/h1-11H,12H2,(H,26,27)(H,28,29,31).
What are the key properties of N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide has a molecular weight of 442.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide is sourced from PubChem (CID 23537771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).