7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine

C23H27N7S — CID 142464136

IUPAC7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccsc56)cnn4c3)CC2)CC1
InChIInChI=1S/C23H27N7S/c1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-23-20(15-26-30(23)16-18)19-2-6-24-21-5-13-31-22(19)21/h2,5-6,13-17H,3-4,7-12H2,1H3
InChIKeyAHAWXAQMOXIPPD-UHFFFAOYSA-N
MW433.59 g/mol
LogP3.22
Rot. Bonds3

About 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine

7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine (PubChem CID 142464136) has the molecular formula C23H27N7S and a molecular weight of 433.59 g/mol. Its IUPAC name is 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
PubChem CID142464136
Molecular FormulaC23H27N7S
Molecular Weight433.59 g/mol
Exact Mass433.20
IUPAC Name7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccsc56)cnn4c3)CC2)CC1
InChIInChI=1S/C23H27N7S/c1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-23-20(15-26-30(23)16-18)19-2-6-24-21-5-13-31-22(19)21/h2,5-6,13-17H,3-4,7-12H2,1H3
InChIKeyAHAWXAQMOXIPPD-UHFFFAOYSA-N
XLogP3.22
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine (CID 142464136) is 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccsc56)cnn4c3)CC2)CC1.
What is the InChIKey of 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine?
The InChIKey is AHAWXAQMOXIPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7S/c1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-23-20(15-26-30(23)16-18)19-2-6-24-21-5-13-31-22(19)21/h2,5-6,13-17H,3-4,7-12H2,1H3.
What are the key properties of 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine?
7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine has a molecular weight of 433.59 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 142464136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).