4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine

C23H20N4O — CID 134806043

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESC1=C(c2nc(-c3ccncc3)cc3c2ccn3Cc2cccnc2)CCOC1
InChIInChI=1S/C23H20N4O/c1-2-17(15-25-8-1)16-27-11-5-20-22(27)14-21(18-3-9-24-10-4-18)26-23(20)19-6-12-28-13-7-19/h1-6,8-11,14-15H,7,12-13,16H2
InChIKeyLFVXOWHBHMHSDC-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.35
Rot. Bonds4

About 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine (PubChem CID 134806043) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
PubChem CID134806043
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESC1=C(c2nc(-c3ccncc3)cc3c2ccn3Cc2cccnc2)CCOC1
InChIInChI=1S/C23H20N4O/c1-2-17(15-25-8-1)16-27-11-5-20-22(27)14-21(18-3-9-24-10-4-18)26-23(20)19-6-12-28-13-7-19/h1-6,8-11,14-15H,7,12-13,16H2
InChIKeyLFVXOWHBHMHSDC-UHFFFAOYSA-N
XLogP4.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine (CID 134806043) is 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine is C1=C(c2nc(-c3ccncc3)cc3c2ccn3Cc2cccnc2)CCOC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is LFVXOWHBHMHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-17(15-25-8-1)16-27-11-5-20-22(27)14-21(18-3-9-24-10-4-18)26-23(20)19-6-12-28-13-7-19/h1-6,8-11,14-15H,7,12-13,16H2.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 368.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 134806043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).