2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one

C29H24N6O2 — CID 176639786

IUPAC2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(-c3ccccc3)c2ccn1Cc1cn2cc(CNc3cc(CO)ccn3)ccc2n1
InChIInChI=1S/C29H24N6O2/c36-19-20-8-10-31-27(12-20)32-13-21-6-7-28-33-23(18-35(28)16-21)17-34-11-9-24-25(22-4-2-1-3-5-22)14-30-15-26(24)29(34)37/h1-12,14-16,18,36H,13,17,19H2,(H,31,32)
InChIKeyCAQWBMFZEJIPMO-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.26
Rot. Bonds7

About 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one

2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one (PubChem CID 176639786) has the molecular formula C29H24N6O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one
PubChem CID176639786
Molecular FormulaC29H24N6O2
Molecular Weight488.55 g/mol
Exact Mass488.20
IUPAC Name2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(-c3ccccc3)c2ccn1Cc1cn2cc(CNc3cc(CO)ccn3)ccc2n1
InChIInChI=1S/C29H24N6O2/c36-19-20-8-10-31-27(12-20)32-13-21-6-7-28-33-23(18-35(28)16-21)17-34-11-9-24-25(22-4-2-1-3-5-22)14-30-15-26(24)29(34)37/h1-12,14-16,18,36H,13,17,19H2,(H,31,32)
InChIKeyCAQWBMFZEJIPMO-UHFFFAOYSA-N
XLogP4.26
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one (CID 176639786) is 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one is O=c1c2cncc(-c3ccccc3)c2ccn1Cc1cn2cc(CNc3cc(CO)ccn3)ccc2n1.
What is the InChIKey of 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one?
The InChIKey is CAQWBMFZEJIPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O2/c36-19-20-8-10-31-27(12-20)32-13-21-6-7-28-33-23(18-35(28)16-21)17-34-11-9-24-25(22-4-2-1-3-5-22)14-30-15-26(24)29(34)37/h1-12,14-16,18,36H,13,17,19H2,(H,31,32).
What are the key properties of 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one?
2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one has a molecular weight of 488.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 176639786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).