4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one

C25H25N5O2 — CID 70583637

IUPAC4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCC5CN6C=CC=CC6=N5)cc4=O)cc31)CNCC2
InChIInChI=1S/C25H25N5O2/c1-28-22-7-9-26-14-21(22)20-6-5-18(12-23(20)28)30-11-8-19(13-25(30)31)32-16-17-15-29-10-3-2-4-24(29)27-17/h2-6,8,10-13,17,26H,7,9,14-16H2,1H3
InChIKeyLZKRJWSCGGISOQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.52
Rot. Bonds4

About 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one

4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one (PubChem CID 70583637) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
PubChem CID70583637
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCC5CN6C=CC=CC6=N5)cc4=O)cc31)CNCC2
InChIInChI=1S/C25H25N5O2/c1-28-22-7-9-26-14-21(22)20-6-5-18(12-23(20)28)30-11-8-19(13-25(30)31)32-16-17-15-29-10-3-2-4-24(29)27-17/h2-6,8,10-13,17,26H,7,9,14-16H2,1H3
InChIKeyLZKRJWSCGGISOQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one (CID 70583637) is 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCC5CN6C=CC=CC6=N5)cc4=O)cc31)CNCC2.
What is the InChIKey of 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
The InChIKey is LZKRJWSCGGISOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-28-22-7-9-26-14-21(22)20-6-5-18(12-23(20)28)30-11-8-19(13-25(30)31)32-16-17-15-29-10-3-2-4-24(29)27-17/h2-6,8,10-13,17,26H,7,9,14-16H2,1H3.
What are the key properties of 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one?
4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one has a molecular weight of 427.51 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 70583637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).