22-pyridin-2-yl-21,23-dihydro-5H-porphyrin

C25H19N5 — CID 174453514

IUPAC22-pyridin-2-yl-21,23-dihydro-5H-porphyrin
SMILESC1=CC2=NC1=Cc1ccc([nH]1)Cc1ccc(n1-c1ccccn1)C=c1ccc([nH]1)=C2
InChIInChI=1S/C25H19N5/c1-2-12-26-25(3-1)30-23-10-11-24(30)16-22-9-7-20(29-22)14-18-5-4-17(27-18)13-19-6-8-21(15-23)28-19/h1-15,28-29H,16H2
InChIKeyNGBFRRPRFYXXOS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.09
Rot. Bonds1

About 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin

22-pyridin-2-yl-21,23-dihydro-5H-porphyrin (PubChem CID 174453514) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin.

Molecular Properties

Compound Name22-pyridin-2-yl-21,23-dihydro-5H-porphyrin
PubChem CID174453514
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Name22-pyridin-2-yl-21,23-dihydro-5H-porphyrin
SMILESC1=CC2=NC1=Cc1ccc([nH]1)Cc1ccc(n1-c1ccccn1)C=c1ccc([nH]1)=C2
InChIInChI=1S/C25H19N5/c1-2-12-26-25(3-1)30-23-10-11-24(30)16-22-9-7-20(29-22)14-18-5-4-17(27-18)13-19-6-8-21(15-23)28-19/h1-15,28-29H,16H2
InChIKeyNGBFRRPRFYXXOS-UHFFFAOYSA-N
XLogP3.09
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin?
The IUPAC name of 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin (CID 174453514) is 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin.
What is the SMILES notation for 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin?
The canonical SMILES for 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin is C1=CC2=NC1=Cc1ccc([nH]1)Cc1ccc(n1-c1ccccn1)C=c1ccc([nH]1)=C2.
What is the InChIKey of 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin?
The InChIKey is NGBFRRPRFYXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-2-12-26-25(3-1)30-23-10-11-24(30)16-22-9-7-20(29-22)14-18-5-4-17(27-18)13-19-6-8-21(15-23)28-19/h1-15,28-29H,16H2.
What are the key properties of 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin?
22-pyridin-2-yl-21,23-dihydro-5H-porphyrin has a molecular weight of 389.46 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-pyridin-2-yl-21,23-dihydro-5H-porphyrin is sourced from PubChem (CID 174453514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).