1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol

C24H25N5O2 — CID 122442336

IUPAC1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol
SMILESNc1ncnc2c1c(-c1ccc3cc(OC4CC4)ccc3c1)nn2CC1(O)CCCC1
InChIInChI=1S/C24H25N5O2/c25-22-20-21(28-29(23(20)27-14-26-22)13-24(30)9-1-2-10-24)17-4-3-16-12-19(31-18-7-8-18)6-5-15(16)11-17/h3-6,11-12,14,18,30H,1-2,7-10,13H2,(H2,25,26,27)
InChIKeyBOIDWXBJMYQUFG-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.07
Rot. Bonds5

About 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol

1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 122442336) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol
PubChem CID122442336
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol
SMILESNc1ncnc2c1c(-c1ccc3cc(OC4CC4)ccc3c1)nn2CC1(O)CCCC1
InChIInChI=1S/C24H25N5O2/c25-22-20-21(28-29(23(20)27-14-26-22)13-24(30)9-1-2-10-24)17-4-3-16-12-19(31-18-7-8-18)6-5-15(16)11-17/h3-6,11-12,14,18,30H,1-2,7-10,13H2,(H2,25,26,27)
InChIKeyBOIDWXBJMYQUFG-UHFFFAOYSA-N
XLogP4.07
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-amino-3-(2-cyclopropyloxyquinolin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]azetidin-3-ol
CID 122443099
1-[3-[[4-amino-3-(2-cyclopropyloxyquinolin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-hydroxyazetidin-1-yl]-4-[[4-amino-3-[6-(difluoromethoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidine-4-carbonitrile
CID 135334477
3-(6-ethoxynaphthalen-2-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155548620
3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70686760
3-[6-(2-methoxyethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 122442416
3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70684592
2-[4-amino-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-morpholin-4-ylethanone
CID 135334476
3-(6-ethoxynaphthalen-2-yl)-1-(1-ethylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70686757
1-(2-methylpropyl)-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905276
5-[4-amino-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 158004609
1-(aminomethyl)-4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 22346833
3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123599657

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol (CID 122442336) is 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol is Nc1ncnc2c1c(-c1ccc3cc(OC4CC4)ccc3c1)nn2CC1(O)CCCC1.
What is the InChIKey of 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is BOIDWXBJMYQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-22-20-21(28-29(23(20)27-14-26-22)13-24(30)9-1-2-10-24)17-4-3-16-12-19(31-18-7-8-18)6-5-15(16)11-17/h3-6,11-12,14,18,30H,1-2,7-10,13H2,(H2,25,26,27).
What are the key properties of 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol?
1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 415.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 122442336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).