N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C23H17FN6OS — CID 23537752

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C23H17FN6OS/c24-18-7-14(3-5-17(18)22(31)29-23-28-19(12-32-23)13-1-2-13)20-10-25-21-6-4-15(11-30(20)21)16-8-26-27-9-16/h3-13H,1-2H2,(H,26,27)(H,28,29,31)
InChIKeyBIPIGRNIPVQKRQ-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.12
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537752) has the molecular formula C23H17FN6OS and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537752
Molecular FormulaC23H17FN6OS
Molecular Weight444.50 g/mol
Exact Mass444.12
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C23H17FN6OS/c24-18-7-14(3-5-17(18)22(31)29-23-28-19(12-32-23)13-1-2-13)20-10-25-21-6-4-15(11-30(20)21)16-8-26-27-9-16/h3-13H,1-2H2,(H,26,27)(H,28,29,31)
InChIKeyBIPIGRNIPVQKRQ-UHFFFAOYSA-N
XLogP5.12
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537752) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1nc(C2CC2)cs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is BIPIGRNIPVQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6OS/c24-18-7-14(3-5-17(18)22(31)29-23-28-19(12-32-23)13-1-2-13)20-10-25-21-6-4-15(11-30(20)21)16-8-26-27-9-16/h3-13H,1-2H2,(H,26,27)(H,28,29,31).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).