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

C22H13FN6S — CID 137039281

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)s1
InChIInChI=1S/C22H13FN6S/c23-19-7-6-18(30-19)20-12-11-17(26-13(12)8-10-25-20)22-21-16(28-29-22)5-4-15(27-21)14-3-1-2-9-24-14/h1-11,26H,(H,28,29)
InChIKeyXMVKEWMFDVCIHQ-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.43
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137039281) has the molecular formula C22H13FN6S and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-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-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137039281
Molecular FormulaC22H13FN6S
Molecular Weight412.45 g/mol
Exact Mass412.09
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)s1
InChIInChI=1S/C22H13FN6S/c23-19-7-6-18(30-19)20-12-11-17(26-13(12)8-10-25-20)22-21-16(28-29-22)5-4-15(27-21)14-3-1-2-9-24-14/h1-11,26H,(H,28,29)
InChIKeyXMVKEWMFDVCIHQ-UHFFFAOYSA-N
XLogP5.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyridin-2-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-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137039281) is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-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-pyridin-2-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-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is XMVKEWMFDVCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6S/c23-19-7-6-18(30-19)20-12-11-17(26-13(12)8-10-25-20)22-21-16(28-29-22)5-4-15(27-21)14-3-1-2-9-24-14/h1-11,26H,(H,28,29).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 412.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137039281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).