1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C19H19N5O — CID 146316177

IUPAC1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1C[C@@H]2C(n3c(C)nc4ccc(-c5ccncc5)nc43)[C@@H]2C1
InChIInChI=1S/C19H19N5O/c1-11-21-17-4-3-16(13-5-7-20-8-6-13)22-19(17)24(11)18-14-9-23(12(2)25)10-15(14)18/h3-8,14-15,18H,9-10H2,1-2H3/t14-,15+,18?
InChIKeyGFLHXWBLZYUGTM-MVVMVCHASA-N
MW333.39 g/mol
LogP2.45
Rot. Bonds2

About 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 146316177) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID146316177
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1C[C@@H]2C(n3c(C)nc4ccc(-c5ccncc5)nc43)[C@@H]2C1
InChIInChI=1S/C19H19N5O/c1-11-21-17-4-3-16(13-5-7-20-8-6-13)22-19(17)24(11)18-14-9-23(12(2)25)10-15(14)18/h3-8,14-15,18H,9-10H2,1-2H3/t14-,15+,18?
InChIKeyGFLHXWBLZYUGTM-MVVMVCHASA-N
XLogP2.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 146316177) is 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is CC(=O)N1C[C@@H]2C(n3c(C)nc4ccc(-c5ccncc5)nc43)[C@@H]2C1.
What is the InChIKey of 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is GFLHXWBLZYUGTM-MVVMVCHASA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-21-17-4-3-16(13-5-7-20-8-6-13)22-19(17)24(11)18-14-9-23(12(2)25)10-15(14)18/h3-8,14-15,18H,9-10H2,1-2H3/t14-,15+,18?.
What are the key properties of 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 146316177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).