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

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

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Launch Full Analysis

Related Compounds

4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
CID 59359775
4-amino-6-[4-[1-[[4-[5-[[4-amino-6-(oxan-4-ylmethoxy)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]methyl]-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]butoxy]-1-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one
CID 147963259
6-amino-9-[(6-methyl-3-pyridinyl)methyl]-2-propylsulfanyl-7H-purin-8-one
CID 122671882
6-amino-2-butoxy-9-[2-(oxolan-2-ylmethoxy)ethyl]-7H-purin-8-one
CID 68610854
3-methyl-5-(oxan-2-ylmethoxy)isoquinolin-8-amine
CID 102713794
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanol
CID 61255283
5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid
CID 165067401
methyl 3-[6-amino-9-[(6-methyl-3-pyridinyl)methyl]-8-oxo-7H-purin-2-yl]propanoate;hydrochloride
CID 172861753
6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one
CID 159958552
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
6-amino-9-benzyl-8-oxo-N-(oxolan-2-ylmethyl)-7H-purine-2-carboxamide
CID 11977607

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).