1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

C14H21N5O2 — CID 11956362

IUPAC1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESCO/N=C/c1nc2c(N)nc(C)c(C)c2n1CC(C)(C)O
InChIInChI=1S/C14H21N5O2/c1-8-9(2)17-13(15)11-12(8)19(7-14(3,4)20)10(18-11)6-16-21-5/h6,20H,7H2,1-5H3,(H2,15,17)/b16-6+
InChIKeyNFBDERSDGOKWEL-OMCISZLKSA-N
MW291.36 g/mol
LogP1.38
Rot. Bonds4

About 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 11956362) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
PubChem CID11956362
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESCO/N=C/c1nc2c(N)nc(C)c(C)c2n1CC(C)(C)O
InChIInChI=1S/C14H21N5O2/c1-8-9(2)17-13(15)11-12(8)19(7-14(3,4)20)10(18-11)6-16-21-5/h6,20H,7H2,1-5H3,(H2,15,17)/b16-6+
InChIKeyNFBDERSDGOKWEL-OMCISZLKSA-N
XLogP1.38
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (CID 11956362) is 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is CO/N=C/c1nc2c(N)nc(C)c(C)c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NFBDERSDGOKWEL-OMCISZLKSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8-9(2)17-13(15)11-12(8)19(7-14(3,4)20)10(18-11)6-16-21-5/h6,20H,7H2,1-5H3,(H2,15,17)/b16-6+.
What are the key properties of 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 291.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(E)-methoxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 11956362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).