1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol

C14H21N5O — CID 70772411

IUPAC1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol
SMILESCCC1(O)CCCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C14H21N5O/c1-4-14(20)6-5-7-19(8-14)13-11-10(2)17-18(3)12(11)15-9-16-13/h9,20H,4-8H2,1-3H3
InChIKeyPRYFKVXMSCPRPL-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol

1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol (PubChem CID 70772411) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol
PubChem CID70772411
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol
SMILESCCC1(O)CCCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C14H21N5O/c1-4-14(20)6-5-7-19(8-14)13-11-10(2)17-18(3)12(11)15-9-16-13/h9,20H,4-8H2,1-3H3
InChIKeyPRYFKVXMSCPRPL-UHFFFAOYSA-N
XLogP1.41
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol (CID 70772411) is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol is CCC1(O)CCCN(c2ncnc3c2c(C)nn3C)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol?
The InChIKey is PRYFKVXMSCPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-14(20)6-5-7-19(8-14)13-11-10(2)17-18(3)12(11)15-9-16-13/h9,20H,4-8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol?
1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol has a molecular weight of 275.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperidin-3-ol is sourced from PubChem (CID 70772411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).