5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide

C20H35N5O3S — CID 69228257

IUPAC5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide
SMILESCCCCNS(=O)(=O)CCCCCn1c(C(C)OC)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C20H35N5O3S/c1-6-7-11-22-29(26,27)13-10-8-9-12-25-18-14(2)15(3)23-19(21)17(18)24-20(25)16(4)28-5/h16,22H,6-13H2,1-5H3,(H2,21,23)
InChIKeyKRVXGGKWWZVCEA-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.23
Rot. Bonds12

About 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide

5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide (PubChem CID 69228257) has the molecular formula C20H35N5O3S and a molecular weight of 425.60 g/mol. Its IUPAC name is 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide
PubChem CID69228257
Molecular FormulaC20H35N5O3S
Molecular Weight425.60 g/mol
Exact Mass425.25
IUPAC Name5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide
SMILESCCCCNS(=O)(=O)CCCCCn1c(C(C)OC)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C20H35N5O3S/c1-6-7-11-22-29(26,27)13-10-8-9-12-25-18-14(2)15(3)23-19(21)17(18)24-20(25)16(4)28-5/h16,22H,6-13H2,1-5H3,(H2,21,23)
InChIKeyKRVXGGKWWZVCEA-UHFFFAOYSA-N
XLogP3.23
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide?
The IUPAC name of 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide (CID 69228257) is 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide.
What is the SMILES notation for 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide?
The canonical SMILES for 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide is CCCCNS(=O)(=O)CCCCCn1c(C(C)OC)nc2c(N)nc(C)c(C)c21.
What is the InChIKey of 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide?
The InChIKey is KRVXGGKWWZVCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3S/c1-6-7-11-22-29(26,27)13-10-8-9-12-25-18-14(2)15(3)23-19(21)17(18)24-20(25)16(4)28-5/h16,22H,6-13H2,1-5H3,(H2,21,23).
What are the key properties of 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide?
5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide has a molecular weight of 425.60 g/mol, XLogP of 3.23, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-2-(1-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-butylpentane-1-sulfonamide is sourced from PubChem (CID 69228257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).