3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine

C16H21N5O3S — CID 172631077

IUPAC3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2ncc(-c3cc(N)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)25(22,23)13-9-21-11(10-6-14(17)20(4)19-10)8-18-15(21)7-12(13)24-5/h6-9H,17H2,1-5H3
InChIKeySBXZZMYOWZJKID-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.90
Rot. Bonds3

About 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine

3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine (PubChem CID 172631077) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
PubChem CID172631077
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2ncc(-c3cc(N)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)25(22,23)13-9-21-11(10-6-14(17)20(4)19-10)8-18-15(21)7-12(13)24-5/h6-9H,17H2,1-5H3
InChIKeySBXZZMYOWZJKID-UHFFFAOYSA-N
XLogP1.90
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine (CID 172631077) is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine is COc1cc2ncc(-c3cc(N)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is SBXZZMYOWZJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-16(2,3)25(22,23)13-9-21-11(10-6-14(17)20(4)19-10)8-18-15(21)7-12(13)24-5/h6-9H,17H2,1-5H3.
What are the key properties of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine?
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 363.44 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 172631077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).