2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine

C21H27N3O — CID 137459432

IUPAC2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine
SMILESCc1cc(-c2cnn3ccccc23)ccc1OCC(C)(N)CC(C)C
InChIInChI=1S/C21H27N3O/c1-15(2)12-21(4,22)14-25-20-9-8-17(11-16(20)3)18-13-23-24-10-6-5-7-19(18)24/h5-11,13,15H,12,14,22H2,1-4H3
InChIKeyUGTWTTIBHSTNQO-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.45
Rot. Bonds6

About 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine

2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine (PubChem CID 137459432) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine
PubChem CID137459432
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine
SMILESCc1cc(-c2cnn3ccccc23)ccc1OCC(C)(N)CC(C)C
InChIInChI=1S/C21H27N3O/c1-15(2)12-21(4,22)14-25-20-9-8-17(11-16(20)3)18-13-23-24-10-6-5-7-19(18)24/h5-11,13,15H,12,14,22H2,1-4H3
InChIKeyUGTWTTIBHSTNQO-UHFFFAOYSA-N
XLogP4.45
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
CID 137472254
(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine
CID 135390366
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
[2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-yl]carbamic acid
CID 135284797
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
(2S)-2,4-dimethyl-1-[2-methyl-4-(3-methyl-3,3a-dihydropyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]pentan-2-amine
CID 145286199
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-methylphenyl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 135284552
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyrimidin-2-yl] N-methylcarbamate
CID 175068485
2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile
CID 135390354
2,4-dimethyl-1-[[7-(2-methyl-4-pyridinyl)-1,3-benzothiazol-4-yl]oxy]pentan-2-amine
CID 137459495
2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine
CID 137459453
(2S)-1-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390135

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine?
The IUPAC name of 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine (CID 137459432) is 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine?
The canonical SMILES for 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine is Cc1cc(-c2cnn3ccccc23)ccc1OCC(C)(N)CC(C)C.
What is the InChIKey of 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine?
The InChIKey is UGTWTTIBHSTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)12-21(4,22)14-25-20-9-8-17(11-16(20)3)18-13-23-24-10-6-5-7-19(18)24/h5-11,13,15H,12,14,22H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine?
2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine has a molecular weight of 337.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine is sourced from PubChem (CID 137459432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).