(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone

C17H24N4O — CID 53013857

IUPAC(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnn3c(C(C)(C)C)ccnc23)CC1
InChIInChI=1S/C17H24N4O/c1-12-6-9-20(10-7-12)16(22)13-11-19-21-14(17(2,3)4)5-8-18-15(13)21/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyOXBCGTHEAUVZNX-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.90
Rot. Bonds1

About (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone

(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 53013857) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID53013857
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnn3c(C(C)(C)C)ccnc23)CC1
InChIInChI=1S/C17H24N4O/c1-12-6-9-20(10-7-12)16(22)13-11-19-21-14(17(2,3)4)5-8-18-15(13)21/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyOXBCGTHEAUVZNX-UHFFFAOYSA-N
XLogP2.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 53013857) is (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnn3c(C(C)(C)C)ccnc23)CC1.
What is the InChIKey of (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is OXBCGTHEAUVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-6-9-20(10-7-12)16(22)13-11-19-21-14(17(2,3)4)5-8-18-15(13)21/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone?
(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53013857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).