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

C18H21N5O3 — CID 42606777

IUPAC4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOC4)cc32)cn1
InChIInChI=1S/C18H21N5O3/c1-11-2-3-12(7-20-11)8-23-14-6-15(26-10-13-4-5-25-9-13)21-17(19)16(14)22-18(23)24/h2-3,6-7,13H,4-5,8-10H2,1H3,(H2,19,21)(H,22,24)
InChIKeyKVJIOFLUTIQSPP-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.47
Rot. Bonds5

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

4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 42606777) 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-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID42606777
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOC4)cc32)cn1
InChIInChI=1S/C18H21N5O3/c1-11-2-3-12(7-20-11)8-23-14-6-15(26-10-13-4-5-25-9-13)21-17(19)16(14)22-18(23)24/h2-3,6-7,13H,4-5,8-10H2,1H3,(H2,19,21)(H,22,24)
InChIKeyKVJIOFLUTIQSPP-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

Dsr-6434
CID 25071151
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071150
4-Amino-1,3-dihydro-1-[(6-methyl-3-pyridinyl)methyl]-6-[(tetrahydro-2H-pyran-4-yl)methoxy]-2H-imidazo[4,5-c]-pyridin-2-one
CID 25154304
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 59281148
4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56662357
4-amino-1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56665641
4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672711
4-amino-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56679241
4-amino-1-[(6-methoxy-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70683556
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 71520574

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one (CID 42606777) is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one is Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOC4)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is KVJIOFLUTIQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-2-3-12(7-20-11)8-23-14-6-15(26-10-13-4-5-25-9-13)21-17(19)16(14)22-18(23)24/h2-3,6-7,13H,4-5,8-10H2,1H3,(H2,19,21)(H,22,24).
What are the key properties of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.47, 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-(oxolan-3-ylmethoxy)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 42606777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).