1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline

C26H23N5 — CID 67391222

IUPAC1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline
SMILESCc1cccc(-c2n[nH]c3cnc4ccc(-c5cncc(N6CCCC6)c5)cc4c23)c1
InChIInChI=1S/C26H23N5/c1-17-5-4-6-19(11-17)26-25-22-13-18(7-8-23(22)28-16-24(25)29-30-26)20-12-21(15-27-14-20)31-9-2-3-10-31/h4-8,11-16H,2-3,9-10H2,1H3,(H,29,30)
InChIKeyZWTZFDNZDYHBON-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.75
Rot. Bonds3

About 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline

1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline (PubChem CID 67391222) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline
PubChem CID67391222
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline
SMILESCc1cccc(-c2n[nH]c3cnc4ccc(-c5cncc(N6CCCC6)c5)cc4c23)c1
InChIInChI=1S/C26H23N5/c1-17-5-4-6-19(11-17)26-25-22-13-18(7-8-23(22)28-16-24(25)29-30-26)20-12-21(15-27-14-20)31-9-2-3-10-31/h4-8,11-16H,2-3,9-10H2,1H3,(H,29,30)
InChIKeyZWTZFDNZDYHBON-UHFFFAOYSA-N
XLogP5.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline?
The IUPAC name of 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline (CID 67391222) is 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline?
The canonical SMILES for 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline is Cc1cccc(-c2n[nH]c3cnc4ccc(-c5cncc(N6CCCC6)c5)cc4c23)c1.
What is the InChIKey of 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline?
The InChIKey is ZWTZFDNZDYHBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-17-5-4-6-19(11-17)26-25-22-13-18(7-8-23(22)28-16-24(25)29-30-26)20-12-21(15-27-14-20)31-9-2-3-10-31/h4-8,11-16H,2-3,9-10H2,1H3,(H,29,30).
What are the key properties of 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline?
1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline has a molecular weight of 405.51 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 67391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).