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

C22H23N5O2 — CID 122442455

IUPAC1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
InChIKeyNYCAEKAKFOSFFT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.54
Rot. Bonds5

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

1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol (PubChem CID 122442455) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
PubChem CID122442455
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
InChIKeyNYCAEKAKFOSFFT-UHFFFAOYSA-N
XLogP3.54
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol (CID 122442455) is 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NYCAEKAKFOSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 389.46 g/mol, XLogP of 3.54, 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]-2-methylpropan-2-ol is sourced from PubChem (CID 122442455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).