6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C19H26N8 — CID 142464414

IUPAC6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5cn[nH]c5)cnn4c3)CC2)CC1
InChIInChI=1S/C19H26N8/c1-24-6-8-26(9-7-24)16-2-4-25(5-3-16)17-12-20-19-18(13-23-27(19)14-17)15-10-21-22-11-15/h10-14,16H,2-9H2,1H3,(H,21,22)
InChIKeyWQRRNNGARYAHEH-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.34
Rot. Bonds3

About 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 142464414) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID142464414
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5cn[nH]c5)cnn4c3)CC2)CC1
InChIInChI=1S/C19H26N8/c1-24-6-8-26(9-7-24)16-2-4-25(5-3-16)17-12-20-19-18(13-23-27(19)14-17)15-10-21-22-11-15/h10-14,16H,2-9H2,1H3,(H,21,22)
InChIKeyWQRRNNGARYAHEH-UHFFFAOYSA-N
XLogP1.34
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 142464414) is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is CN1CCN(C2CCN(c3cnc4c(-c5cn[nH]c5)cnn4c3)CC2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WQRRNNGARYAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-24-6-8-26(9-7-24)16-2-4-25(5-3-16)17-12-20-19-18(13-23-27(19)14-17)15-10-21-22-11-15/h10-14,16H,2-9H2,1H3,(H,21,22).
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142464414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).