5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide

C17H28N6O3S — CID 91223283

IUPAC5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide
SMILESC=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCCS(N)(=O)=O
InChIInChI=1S/C17H28N6O3S/c1-11(2)22-26-10-14-21-15-16(12(3)13(4)20-17(15)18)23(14)8-6-5-7-9-27(19,24)25/h22H,1,5-10H2,2-4H3,(H2,18,20)(H2,19,24,25)
InChIKeyLPTFOJREKOUUHH-UHFFFAOYSA-N
MW396.52 g/mol
LogP1.64
Rot. Bonds10

About 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide

5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide (PubChem CID 91223283) has the molecular formula C17H28N6O3S and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide
PubChem CID91223283
Molecular FormulaC17H28N6O3S
Molecular Weight396.52 g/mol
Exact Mass396.19
IUPAC Name5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide
SMILESC=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCCS(N)(=O)=O
InChIInChI=1S/C17H28N6O3S/c1-11(2)22-26-10-14-21-15-16(12(3)13(4)20-17(15)18)23(14)8-6-5-7-9-27(19,24)25/h22H,1,5-10H2,2-4H3,(H2,18,20)(H2,19,24,25)
InChIKeyLPTFOJREKOUUHH-UHFFFAOYSA-N
XLogP1.64
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide?
The IUPAC name of 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide (CID 91223283) is 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide.
What is the SMILES notation for 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide?
The canonical SMILES for 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide is C=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCCS(N)(=O)=O.
What is the InChIKey of 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide?
The InChIKey is LPTFOJREKOUUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3S/c1-11(2)22-26-10-14-21-15-16(12(3)13(4)20-17(15)18)23(14)8-6-5-7-9-27(19,24)25/h22H,1,5-10H2,2-4H3,(H2,18,20)(H2,19,24,25).
What are the key properties of 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide?
5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide has a molecular weight of 396.52 g/mol, XLogP of 1.64, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide is sourced from PubChem (CID 91223283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).