4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one

C18H21N5O3 — CID 42606892

IUPAC4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OC[C@@H]4CCCO4)cc32)cn1
InChIInChI=1S/C18H21N5O3/c1-11-4-5-12(8-20-11)9-23-14-7-15(26-10-13-3-2-6-25-13)21-17(19)16(14)22-18(23)24/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,21)(H,22,24)/t13-/m0/s1
InChIKeyJCOGSQSNZOXHGJ-ZDUSSCGKSA-N
MW355.40 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 42606892) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID42606892
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OC[C@@H]4CCCO4)cc32)cn1
InChIInChI=1S/C18H21N5O3/c1-11-4-5-12(8-20-11)9-23-14-7-15(26-10-13-3-2-6-25-13)21-17(19)16(14)22-18(23)24/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,21)(H,22,24)/t13-/m0/s1
InChIKeyJCOGSQSNZOXHGJ-ZDUSSCGKSA-N
XLogP1.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.62
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-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one (CID 42606892) is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one is Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(OC[C@@H]4CCCO4)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is JCOGSQSNZOXHGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-4-5-12(8-20-11)9-23-14-7-15(26-10-13-3-2-6-25-13)21-17(19)16(14)22-18(23)24/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,21)(H,22,24)/t13-/m0/s1.
What are the key properties of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.62, 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-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 42606892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).