(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

C17H24N6O — CID 134797076

IUPAC(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C17H24N6O/c1-20-9-11-21(12-10-20)17(24)14-3-2-8-22(13-14)16-5-6-18-15-4-7-19-23(15)16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyBJYBTLDSJCTQRE-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.72
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (PubChem CID 134797076) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
PubChem CID134797076
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C17H24N6O/c1-20-9-11-21(12-10-20)17(24)14-3-2-8-22(13-14)16-5-6-18-15-4-7-19-23(15)16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyBJYBTLDSJCTQRE-UHFFFAOYSA-N
XLogP0.72
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (CID 134797076) is (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone is CN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The InChIKey is BJYBTLDSJCTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-20-9-11-21(12-10-20)17(24)14-3-2-8-22(13-14)16-5-6-18-15-4-7-19-23(15)16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 134797076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).