1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one

C19H21N7O — CID 46199874

IUPAC1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC=C(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1
InChIInChI=1S/C19H21N7O/c1-11(2)19(27)26-8-5-12(6-9-26)14-10-22-16(20)15(23-14)18-24-13-4-3-7-21-17(13)25-18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,20,22)(H,21,24,25)
InChIKeyLNDMWHMFECKZFX-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.27
Rot. Bonds3

About 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one

1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (PubChem CID 46199874) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
PubChem CID46199874
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC=C(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1
InChIInChI=1S/C19H21N7O/c1-11(2)19(27)26-8-5-12(6-9-26)14-10-22-16(20)15(23-14)18-24-13-4-3-7-21-17(13)25-18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,20,22)(H,21,24,25)
InChIKeyLNDMWHMFECKZFX-UHFFFAOYSA-N
XLogP2.27
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (CID 46199874) is 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC=C(c2cnc(N)c(-c3nc4ncccc4[nH]3)n2)CC1.
What is the InChIKey of 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The InChIKey is LNDMWHMFECKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-11(2)19(27)26-8-5-12(6-9-26)14-10-22-16(20)15(23-14)18-24-13-4-3-7-21-17(13)25-18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,20,22)(H,21,24,25).
What are the key properties of 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one has a molecular weight of 363.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 46199874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).