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

C20H13FN8S — CID 136945705

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C20H13FN8S/c1-29-9-11(8-24-29)10-6-12-16(27-28-19(12)23-7-10)20-25-13-4-5-22-18(17(13)26-20)14-2-3-15(21)30-14/h2-9H,1H3,(H,25,26)(H,23,27,28)
InChIKeyMJWFOZNIHUQOPM-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.16
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945705) has the molecular formula C20H13FN8S and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945705
Molecular FormulaC20H13FN8S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)cn1
InChIInChI=1S/C20H13FN8S/c1-29-9-11(8-24-29)10-6-12-16(27-28-19(12)23-7-10)20-25-13-4-5-22-18(17(13)26-20)14-2-3-15(21)30-14/h2-9H,1H3,(H,25,26)(H,23,27,28)
InChIKeyMJWFOZNIHUQOPM-UHFFFAOYSA-N
XLogP4.16
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 136945705) is 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is Cn1cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)cn1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MJWFOZNIHUQOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN8S/c1-29-9-11(8-24-29)10-6-12-16(27-28-19(12)23-7-10)20-25-13-4-5-22-18(17(13)26-20)14-2-3-15(21)30-14/h2-9H,1H3,(H,25,26)(H,23,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 416.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).