2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

C26H29N5O — CID 66556604

IUPAC2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccncc4)cn3c2CN2CCCN(C)CC2)cc1
InChIInChI=1S/C26H29N5O/c1-29-14-3-15-30(17-16-29)19-24-26(21-4-7-23(32-2)8-5-21)28-25-9-6-22(18-31(24)25)20-10-12-27-13-11-20/h4-13,18H,3,14-17,19H2,1-2H3
InChIKeyQOCXDVRXUMRLPD-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 66556604) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID66556604
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccncc4)cn3c2CN2CCCN(C)CC2)cc1
InChIInChI=1S/C26H29N5O/c1-29-14-3-15-30(17-16-29)19-24-26(21-4-7-23(32-2)8-5-21)28-25-9-6-22(18-31(24)25)20-10-12-27-13-11-20/h4-13,18H,3,14-17,19H2,1-2H3
InChIKeyQOCXDVRXUMRLPD-UHFFFAOYSA-N
XLogP4.21
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 66556604) is 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(-c4ccncc4)cn3c2CN2CCCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is QOCXDVRXUMRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-29-14-3-15-30(17-16-29)19-24-26(21-4-7-23(32-2)8-5-21)28-25-9-6-22(18-31(24)25)20-10-12-27-13-11-20/h4-13,18H,3,14-17,19H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 427.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 66556604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).