2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine

C26H23N5 — CID 67757234

IUPAC2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine
SMILESC1=C2N(CC1)c1nn(-c3ccccc3)cc1C2(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H23N5/c1-2-5-22(6-3-1)31-19-23-25(29-31)30-16-4-7-24(30)26(23,17-20-8-12-27-13-9-20)18-21-10-14-28-15-11-21/h1-3,5-15,19H,4,16-18H2
InChIKeyQLIHDKBBOXGVSI-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.49
Rot. Bonds5

About 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine

2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine (PubChem CID 67757234) has the molecular formula C26H23N5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine.

Molecular Properties

Compound Name2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine
PubChem CID67757234
Molecular FormulaC26H23N5
Molecular Weight405.50 g/mol
Exact Mass405.20
IUPAC Name2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine
SMILESC1=C2N(CC1)c1nn(-c3ccccc3)cc1C2(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H23N5/c1-2-5-22(6-3-1)31-19-23-25(29-31)30-16-4-7-24(30)26(23,17-20-8-12-27-13-9-20)18-21-10-14-28-15-11-21/h1-3,5-15,19H,4,16-18H2
InChIKeyQLIHDKBBOXGVSI-UHFFFAOYSA-N
XLogP4.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine?
The IUPAC name of 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine (CID 67757234) is 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine.
What is the SMILES notation for 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine?
The canonical SMILES for 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine is C1=C2N(CC1)c1nn(-c3ccccc3)cc1C2(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine?
The InChIKey is QLIHDKBBOXGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-2-5-22(6-3-1)31-19-23-25(29-31)30-16-4-7-24(30)26(23,17-20-8-12-27-13-9-20)18-21-10-14-28-15-11-21/h1-3,5-15,19H,4,16-18H2.
What are the key properties of 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine?
2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine has a molecular weight of 405.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,4-bis(pyridin-4-ylmethyl)-6,7-dihydropyrazolo[4,3-b]pyrrolizine is sourced from PubChem (CID 67757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).