5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole

C22H14FN7S — CID 137312428

IUPAC5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)s1
InChIInChI=1S/C22H14FN7S/c1-11-25-10-17(31-11)14-5-6-16-20(26-14)21(30-29-16)22-27-15-7-8-24-18(19(15)28-22)12-3-2-4-13(23)9-12/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyBDJPTYJKCZLFPP-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.13
Rot. Bonds3

About 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole

5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole (PubChem CID 137312428) has the molecular formula C22H14FN7S and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
PubChem CID137312428
Molecular FormulaC22H14FN7S
Molecular Weight427.47 g/mol
Exact Mass427.10
IUPAC Name5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)s1
InChIInChI=1S/C22H14FN7S/c1-11-25-10-17(31-11)14-5-6-16-20(26-14)21(30-29-16)22-27-15-7-8-24-18(19(15)28-22)12-3-2-4-13(23)9-12/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyBDJPTYJKCZLFPP-UHFFFAOYSA-N
XLogP5.13
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole (CID 137312428) is 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole is Cc1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)s1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
The InChIKey is BDJPTYJKCZLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7S/c1-11-25-10-17(31-11)14-5-6-16-20(26-14)21(30-29-16)22-27-15-7-8-24-18(19(15)28-22)12-3-2-4-13(23)9-12/h2-10H,1H3,(H,27,28)(H,29,30).
What are the key properties of 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole has a molecular weight of 427.47 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 137312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).