methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate

C14H19N3O2 — CID 116984091

IUPACmethyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCC(C)(C)N)n2ccccc12
InChIInChI=1S/C14H19N3O2/c1-14(2,15)8-7-11-16-12(13(18)19-3)10-6-4-5-9-17(10)11/h4-6,9H,7-8,15H2,1-3H3
InChIKeySFPRRMNFYVVWGZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 116984091) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID116984091
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCC(C)(C)N)n2ccccc12
InChIInChI=1S/C14H19N3O2/c1-14(2,15)8-7-11-16-12(13(18)19-3)10-6-4-5-9-17(10)11/h4-6,9H,7-8,15H2,1-3H3
InChIKeySFPRRMNFYVVWGZ-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 56795161
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 116984091) is methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CCC(C)(C)N)n2ccccc12.
What is the InChIKey of methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is SFPRRMNFYVVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,15)8-7-11-16-12(13(18)19-3)10-6-4-5-9-17(10)11/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 116984091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).