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

C24H29N7S — CID 142464296

IUPAC2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
SMILESCc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2s1
InChIInChI=1S/C24H29N7S/c1-17-13-22-23(32-17)20(3-6-25-22)21-15-27-31-16-19(14-26-24(21)31)29-7-4-18(5-8-29)30-11-9-28(2)10-12-30/h3,6,13-16,18H,4-5,7-12H2,1-2H3
InChIKeyHGYHKXXWVFVQGV-UHFFFAOYSA-N
MW447.61 g/mol
LogP3.53
Rot. Bonds3

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

2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine (PubChem CID 142464296) has the molecular formula C24H29N7S and a molecular weight of 447.61 g/mol. Its IUPAC name is 2-methyl-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 Name2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
PubChem CID142464296
Molecular FormulaC24H29N7S
Molecular Weight447.61 g/mol
Exact Mass447.22
IUPAC Name2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
SMILESCc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2s1
InChIInChI=1S/C24H29N7S/c1-17-13-22-23(32-17)20(3-6-25-22)21-15-27-31-16-19(14-26-24(21)31)29-7-4-18(5-8-29)30-11-9-28(2)10-12-30/h3,6,13-16,18H,4-5,7-12H2,1-2H3
InChIKeyHGYHKXXWVFVQGV-UHFFFAOYSA-N
XLogP3.53
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-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 2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine (CID 142464296) is 2-methyl-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 2-methyl-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 2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine is Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2s1.
What is the InChIKey of 2-methyl-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 HGYHKXXWVFVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7S/c1-17-13-22-23(32-17)20(3-6-25-22)21-15-27-31-16-19(14-26-24(21)31)29-7-4-18(5-8-29)30-11-9-28(2)10-12-30/h3,6,13-16,18H,4-5,7-12H2,1-2H3.
What are the key properties of 2-methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine?
2-methyl-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 447.61 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-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 142464296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).