tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate

C21H35N5O3 — CID 58869074

IUPACtert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate
SMILESCCCc1nc2c(N)nc(C)c(C)c2n1CCCCN(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H35N5O3/c1-8-11-16-24-17-18(14(2)15(3)23-19(17)22)25(16)12-9-10-13-26(28-7)20(27)29-21(4,5)6/h8-13H2,1-7H3,(H2,22,23)
InChIKeyBIDDUFCYVZFOBE-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.16
Rot. Bonds8

About tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate

tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate (PubChem CID 58869074) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate
PubChem CID58869074
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Nametert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate
SMILESCCCc1nc2c(N)nc(C)c(C)c2n1CCCCN(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H35N5O3/c1-8-11-16-24-17-18(14(2)15(3)23-19(17)22)25(16)12-9-10-13-26(28-7)20(27)29-21(4,5)6/h8-13H2,1-7H3,(H2,22,23)
InChIKeyBIDDUFCYVZFOBE-UHFFFAOYSA-N
XLogP4.16
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

5-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)pentan-2-one
CID 58837336
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)-1-morpholin-4-ylbutan-1-one
CID 57447081
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192111
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide
CID 91464354
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
1-[4-[4-amino-6,7-dimethyl-2-[(propan-2-ylideneamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-1-cyclohexylurea
CID 87250505
1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea
CID 69193430
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
3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-methylpropane-1-sulfonamide
CID 69226312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate?
The IUPAC name of tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate (CID 58869074) is tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate.
What is the SMILES notation for tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate?
The canonical SMILES for tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate is CCCc1nc2c(N)nc(C)c(C)c2n1CCCCN(OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate?
The InChIKey is BIDDUFCYVZFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-8-11-16-24-17-18(14(2)15(3)23-19(17)22)25(16)12-9-10-13-26(28-7)20(27)29-21(4,5)6/h8-13H2,1-7H3,(H2,22,23).
What are the key properties of tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate?
tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate has a molecular weight of 405.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate is sourced from PubChem (CID 58869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).