3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole

C23H23N3 — CID 21476933

IUPAC3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
SMILESC1=C(c2ccccc2)CCN(Cc2[nH]nc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C23H23N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,12H,10-11,13-16H2,(H,24,25)
InChIKeyCORLPROJRMHBGA-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.46
Rot. Bonds3

About 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole

3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole (PubChem CID 21476933) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole.

Molecular Properties

Compound Name3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
PubChem CID21476933
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
SMILESC1=C(c2ccccc2)CCN(Cc2[nH]nc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C23H23N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,12H,10-11,13-16H2,(H,24,25)
InChIKeyCORLPROJRMHBGA-UHFFFAOYSA-N
XLogP4.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The IUPAC name of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole (CID 21476933) is 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole.
What is the SMILES notation for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The canonical SMILES for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole is C1=C(c2ccccc2)CCN(Cc2[nH]nc3c2CCc2ccccc2-3)C1.
What is the InChIKey of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The InChIKey is CORLPROJRMHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,12H,10-11,13-16H2,(H,24,25).
What are the key properties of 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole has a molecular weight of 341.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole is sourced from PubChem (CID 21476933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).