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

C21H14FN7S — CID 137039294

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3n2)cn1
InChIInChI=1S/C21H14FN7S/c1-29-10-11(9-24-29)13-2-3-15-20(26-13)21(28-27-15)16-8-12-14(25-16)6-7-23-19(12)17-4-5-18(22)30-17/h2-10,25H,1H3,(H,27,28)
InChIKeyKTFYQEZLEWIPGH-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.77
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137039294) has the molecular formula C21H14FN7S and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137039294
Molecular FormulaC21H14FN7S
Molecular Weight415.46 g/mol
Exact Mass415.10
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3n2)cn1
InChIInChI=1S/C21H14FN7S/c1-29-10-11(9-24-29)13-2-3-15-20(26-13)21(28-27-15)16-8-12-14(25-16)6-7-23-19(12)17-4-5-18(22)30-17/h2-10,25H,1H3,(H,27,28)
InChIKeyKTFYQEZLEWIPGH-UHFFFAOYSA-N
XLogP4.77
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137039294) is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3n2)cn1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is KTFYQEZLEWIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN7S/c1-29-10-11(9-24-29)13-2-3-15-20(26-13)21(28-27-15)16-8-12-14(25-16)6-7-23-19(12)17-4-5-18(22)30-17/h2-10,25H,1H3,(H,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 415.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137039294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).