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

C17H23N7O2S — CID 69211354

IUPAC5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide
SMILESCc1nc(N)c2ncn(CCCCCS(=O)(=O)Nc3ncccn3)c2c1C
InChIInChI=1S/C17H23N7O2S/c1-12-13(2)22-16(18)14-15(12)24(11-21-14)9-4-3-5-10-27(25,26)23-17-19-7-6-8-20-17/h6-8,11H,3-5,9-10H2,1-2H3,(H2,18,22)(H,19,20,23)
InChIKeyAVSYHMPPHSYAEW-UHFFFAOYSA-N
MW389.49 g/mol
LogP2.03
Rot. Bonds8

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

5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide (PubChem CID 69211354) has the molecular formula C17H23N7O2S and a molecular weight of 389.49 g/mol. Its IUPAC name is 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide
PubChem CID69211354
Molecular FormulaC17H23N7O2S
Molecular Weight389.49 g/mol
Exact Mass389.16
IUPAC Name5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide
SMILESCc1nc(N)c2ncn(CCCCCS(=O)(=O)Nc3ncccn3)c2c1C
InChIInChI=1S/C17H23N7O2S/c1-12-13(2)22-16(18)14-15(12)24(11-21-14)9-4-3-5-10-27(25,26)23-17-19-7-6-8-20-17/h6-8,11H,3-5,9-10H2,1-2H3,(H2,18,22)(H,19,20,23)
InChIKeyAVSYHMPPHSYAEW-UHFFFAOYSA-N
XLogP2.03
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide?
The IUPAC name of 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide (CID 69211354) is 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide.
What is the SMILES notation for 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide?
The canonical SMILES for 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide is Cc1nc(N)c2ncn(CCCCCS(=O)(=O)Nc3ncccn3)c2c1C.
What is the InChIKey of 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide?
The InChIKey is AVSYHMPPHSYAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S/c1-12-13(2)22-16(18)14-15(12)24(11-21-14)9-4-3-5-10-27(25,26)23-17-19-7-6-8-20-17/h6-8,11H,3-5,9-10H2,1-2H3,(H2,18,22)(H,19,20,23).
What are the key properties of 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide?
5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide has a molecular weight of 389.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide is sourced from PubChem (CID 69211354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).