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

C22H16FN7S — CID 137034364

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H16FN7S/c1-11-25-10-17(30(11)2)12-7-15-20(28-29-22(15)26-9-12)16-8-14-13(5-6-24-21(14)27-16)18-3-4-19(23)31-18/h3-10H,1-2H3,(H,24,27)(H,26,28,29)
InChIKeySMPMKCMVHRSARC-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.08
Rot. Bonds3

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137034364) has the molecular formula C22H16FN7S and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137034364
Molecular FormulaC22H16FN7S
Molecular Weight429.48 g/mol
Exact Mass429.12
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H16FN7S/c1-11-25-10-17(30(11)2)12-7-15-20(28-29-22(15)26-9-12)16-8-14-13(5-6-24-21(14)27-16)18-3-4-19(23)31-18/h3-10H,1-2H3,(H,24,27)(H,26,28,29)
InChIKeySMPMKCMVHRSARC-UHFFFAOYSA-N
XLogP5.08
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137034364) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SMPMKCMVHRSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7S/c1-11-25-10-17(30(11)2)12-7-15-20(28-29-22(15)26-9-12)16-8-14-13(5-6-24-21(14)27-16)18-3-4-19(23)31-18/h3-10H,1-2H3,(H,24,27)(H,26,28,29).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 429.48 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137034364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).