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

C30H26FN7 — CID 137040832

IUPAC3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C30H26FN7/c31-23-6-4-5-20(10-23)26-16-33-17-28-24(26)12-27(35-28)29-25-11-22(15-34-30(25)37-36-29)21-9-19(13-32-14-21)18-38-7-2-1-3-8-38/h4-6,9-17,35H,1-3,7-8,18H2,(H,34,36,37)
InChIKeyAHUWZNKYYDOFGV-UHFFFAOYSA-N
MW503.59 g/mol
LogP6.36
Rot. Bonds5

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040832) has the molecular formula C30H26FN7 and a molecular weight of 503.59 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040832
Molecular FormulaC30H26FN7
Molecular Weight503.59 g/mol
Exact Mass503.22
IUPAC Name3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C30H26FN7/c31-23-6-4-5-20(10-23)26-16-33-17-28-24(26)12-27(35-28)29-25-11-22(15-34-30(25)37-36-29)21-9-19(13-32-14-21)18-38-7-2-1-3-8-38/h4-6,9-17,35H,1-3,7-8,18H2,(H,34,36,37)
InChIKeyAHUWZNKYYDOFGV-UHFFFAOYSA-N
XLogP6.36
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137040832) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AHUWZNKYYDOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7/c31-23-6-4-5-20(10-23)26-16-33-17-28-24(26)12-27(35-28)29-25-11-22(15-34-30(25)37-36-29)21-9-19(13-32-14-21)18-38-7-2-1-3-8-38/h4-6,9-17,35H,1-3,7-8,18H2,(H,34,36,37).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 503.59 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).