2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol

C18H24N6O — CID 109377371

IUPAC2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNc1ncnc2c1cnn2-c1ccncc1
InChIInChI=1S/C18H24N6O/c1-12(2)15(25)18(3,4)10-20-16-14-9-23-24(17(14)22-11-21-16)13-5-7-19-8-6-13/h5-9,11-12,15,25H,10H2,1-4H3,(H,20,21,22)
InChIKeyIBQIYRNKITWOIT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.67
Rot. Bonds6

About 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol

2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol (PubChem CID 109377371) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol
PubChem CID109377371
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNc1ncnc2c1cnn2-c1ccncc1
InChIInChI=1S/C18H24N6O/c1-12(2)15(25)18(3,4)10-20-16-14-9-23-24(17(14)22-11-21-16)13-5-7-19-8-6-13/h5-9,11-12,15,25H,10H2,1-4H3,(H,20,21,22)
InChIKeyIBQIYRNKITWOIT-UHFFFAOYSA-N
XLogP2.67
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
(2S)-1-[[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 41476156
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
4-[4-(3-hydroxypropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzoic acid
CID 84818478

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol (CID 109377371) is 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol is CC(C)C(O)C(C)(C)CNc1ncnc2c1cnn2-c1ccncc1.
What is the InChIKey of 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol?
The InChIKey is IBQIYRNKITWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)15(25)18(3,4)10-20-16-14-9-23-24(17(14)22-11-21-16)13-5-7-19-8-6-13/h5-9,11-12,15,25H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol?
2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol has a molecular weight of 340.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol is sourced from PubChem (CID 109377371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).