5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine

C30H25FN6O — CID 137038687

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1ccnc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)cc12
InChIInChI=1S/C30H25FN6O/c31-26-9-5-4-8-23(26)22-10-11-33-29-24(22)14-27(35-29)28-25-13-19(16-34-30(25)37-36-28)18-12-21(17-32-15-18)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,33,35)(H,34,36,37)
InChIKeyFIIHMFWDOLFEHD-UHFFFAOYSA-N
MW504.57 g/mol
LogP7.08
Rot. Bonds5

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038687) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137038687
Molecular FormulaC30H25FN6O
Molecular Weight504.57 g/mol
Exact Mass504.21
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1ccnc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)cc12
InChIInChI=1S/C30H25FN6O/c31-26-9-5-4-8-23(26)22-10-11-33-29-24(22)14-27(35-29)28-25-13-19(16-34-30(25)37-36-28)18-12-21(17-32-15-18)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,33,35)(H,34,36,37)
InChIKeyFIIHMFWDOLFEHD-UHFFFAOYSA-N
XLogP7.08
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137038687) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is Fc1ccccc1-c1ccnc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)cc12.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FIIHMFWDOLFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c31-26-9-5-4-8-23(26)22-10-11-33-29-24(22)14-27(35-29)28-25-13-19(16-34-30(25)37-36-28)18-12-21(17-32-15-18)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,33,35)(H,34,36,37).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 504.57 g/mol, XLogP of 7.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).