5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole

C22H14FN7S — CID 137109986

IUPAC5-[3-[7-(3-fluorophenyl)-3H-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)cncc5[nH]4)c3n2)s1
InChIInChI=1S/C22H14FN7S/c1-11-25-10-18(31-11)15-5-6-16-20(26-15)21(30-29-16)22-27-17-9-24-8-14(19(17)28-22)12-3-2-4-13(23)7-12/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyOTIRRIOTYXCJIG-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.13
Rot. Bonds3

About 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole

5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole (PubChem CID 137109986) has the molecular formula C22H14FN7S and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-[3-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
PubChem CID137109986
Molecular FormulaC22H14FN7S
Molecular Weight427.47 g/mol
Exact Mass427.10
IUPAC Name5-[3-[7-(3-fluorophenyl)-3H-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)cncc5[nH]4)c3n2)s1
InChIInChI=1S/C22H14FN7S/c1-11-25-10-18(31-11)15-5-6-16-20(26-15)21(30-29-16)22-27-17-9-24-8-14(19(17)28-22)12-3-2-4-13(23)7-12/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyOTIRRIOTYXCJIG-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-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole (CID 137109986) is 5-[3-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-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)cncc5[nH]4)c3n2)s1.
What is the InChIKey of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
The InChIKey is OTIRRIOTYXCJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7S/c1-11-25-10-18(31-11)15-5-6-16-20(26-15)21(30-29-16)22-27-17-9-24-8-14(19(17)28-22)12-3-2-4-13(23)7-12/h2-10H,1H3,(H,27,28)(H,29,30).
What are the key properties of 5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole?
5-[3-[7-(3-fluorophenyl)-3H-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-[7-(3-fluorophenyl)-3H-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 137109986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).