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

C23H28N8 — CID 142464240

IUPAC6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C23H28N8/c1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h2-4,7,14-18H,5-6,8-13H2,1H3
InChIKeyZXWKNGXXOXIQTP-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.26
Rot. Bonds3

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

6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 142464240) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID142464240
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C23H28N8/c1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h2-4,7,14-18H,5-6,8-13H2,1H3
InChIKeyZXWKNGXXOXIQTP-UHFFFAOYSA-N
XLogP2.26
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 142464240) is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine is CN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZXWKNGXXOXIQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h2-4,7,14-18H,5-6,8-13H2,1H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 416.53 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142464240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).