2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine

C23H31N3O3S — CID 10048281

IUPAC2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
SMILESCC(C)c1nn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1
InChIInChI=1S/C23H31N3O3S/c1-17(2)21-22(20-9-6-7-15-26(20)25-21)30(27,28)19-12-10-18(11-13-19)29-16-8-14-24-23(3,4)5/h6-7,9-13,15,17,24H,8,14,16H2,1-5H3
InChIKeySZKSPIJKBGKXQJ-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.45
Rot. Bonds8

About 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine

2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine (PubChem CID 10048281) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
PubChem CID10048281
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
SMILESCC(C)c1nn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1
InChIInChI=1S/C23H31N3O3S/c1-17(2)21-22(20-9-6-7-15-26(20)25-21)30(27,28)19-12-10-18(11-13-19)29-16-8-14-24-23(3,4)5/h6-7,9-13,15,17,24H,8,14,16H2,1-5H3
InChIKeySZKSPIJKBGKXQJ-UHFFFAOYSA-N
XLogP4.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]pentan-1-amine
CID 13938132
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 9982805
N-butyl-N-[3-[4-(2-tert-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10028882
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10049017
N-butyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10074125
2-methyl-N-[3-[4-(2-propan-2-ylindolizin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10387879
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10458050
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propan-1-amine
CID 10482718
N-butyl-N-[3-[4-(2-cyclohexylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 11756579
N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine
CID 13938100
3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938102
N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine (CID 10048281) is 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine is CC(C)c1nn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The InChIKey is SZKSPIJKBGKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17(2)21-22(20-9-6-7-15-26(20)25-21)30(27,28)19-12-10-18(11-13-19)29-16-8-14-24-23(3,4)5/h6-7,9-13,15,17,24H,8,14,16H2,1-5H3.
What are the key properties of 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine has a molecular weight of 429.59 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine is sourced from PubChem (CID 10048281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).