4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one

C19H23N5O3 — CID 25154304

IUPAC4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOCC4)cc32)cn1
InChIInChI=1S/C19H23N5O3/c1-12-2-3-14(9-21-12)10-24-15-8-16(22-18(20)17(15)23-19(24)25)27-11-13-4-6-26-7-5-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H2,20,22)(H,23,25)
InChIKeyDIGKZBFXEHAQBV-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 25154304) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID25154304
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOCC4)cc32)cn1
InChIInChI=1S/C19H23N5O3/c1-12-2-3-14(9-21-12)10-24-15-8-16(22-18(20)17(15)23-19(24)25)27-11-13-4-6-26-7-5-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H2,20,22)(H,23,25)
InChIKeyDIGKZBFXEHAQBV-UHFFFAOYSA-N
XLogP1.86
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one (CID 25154304) is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one is Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOCC4)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is DIGKZBFXEHAQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-2-3-14(9-21-12)10-24-15-8-16(22-18(20)17(15)23-19(24)25)27-11-13-4-6-26-7-5-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxan-4-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 25154304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).