3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C22H14FN7OS — CID 136937592

IUPAC3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H14FN7OS/c1-31-12-6-11(8-24-9-12)15-7-14-16(10-26-15)29-30-20(14)22-27-19-13(4-5-25-21(19)28-22)17-2-3-18(23)32-17/h2-10H,1H3,(H,29,30)(H,25,27,28)
InChIKeyCSDKIWFUCBCNDD-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.83
Rot. Bonds4

About 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937592) has the molecular formula C22H14FN7OS and a molecular weight of 443.47 g/mol. Its IUPAC name is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136937592
Molecular FormulaC22H14FN7OS
Molecular Weight443.47 g/mol
Exact Mass443.10
IUPAC Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H14FN7OS/c1-31-12-6-11(8-24-9-12)15-7-14-16(10-26-15)29-30-20(14)22-27-19-13(4-5-25-21(19)28-22)17-2-3-18(23)32-17/h2-10H,1H3,(H,29,30)(H,25,27,28)
InChIKeyCSDKIWFUCBCNDD-UHFFFAOYSA-N
XLogP4.83
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136937592) is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is COc1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is CSDKIWFUCBCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7OS/c1-31-12-6-11(8-24-9-12)15-7-14-16(10-26-15)29-30-20(14)22-27-19-13(4-5-25-21(19)28-22)17-2-3-18(23)32-17/h2-10H,1H3,(H,29,30)(H,25,27,28).
What are the key properties of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 443.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).