3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C25H31N7 — CID 147610205

IUPAC3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC1=Cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2C1
InChIInChI=1S/C25H31N7/c1-18-13-22-21(3-6-26-24(22)14-18)23-16-28-32-17-20(15-27-25(23)32)30-7-4-19(5-8-30)31-11-9-29(2)10-12-31/h3,6,14-17,19H,4-5,7-13H2,1-2H3
InChIKeyGBVWRLLNHPHCAS-UHFFFAOYSA-N
MW429.57 g/mol
LogP2.97
Rot. Bonds3

About 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 147610205) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID147610205
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC1=Cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2C1
InChIInChI=1S/C25H31N7/c1-18-13-22-21(3-6-26-24(22)14-18)23-16-28-32-17-20(15-27-25(23)32)30-7-4-19(5-8-30)31-11-9-29(2)10-12-31/h3,6,14-17,19H,4-5,7-13H2,1-2H3
InChIKeyGBVWRLLNHPHCAS-UHFFFAOYSA-N
XLogP2.97
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464382
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 160759263
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 142464374
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
CID 142464143
4-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one
CID 166562529
7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 163291612
4-[6-[4-(4,4-dimethylpiperazin-4-ium-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline
CID 158644753
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157486100
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
ethane;7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464168

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 147610205) is 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is CC1=Cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2C1.
What is the InChIKey of 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is GBVWRLLNHPHCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-18-13-22-21(3-6-26-24(22)14-18)23-16-28-32-17-20(15-27-25(23)32)30-7-4-19(5-8-30)31-11-9-29(2)10-12-31/h3,6,14-17,19H,4-5,7-13H2,1-2H3.
What are the key properties of 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 429.57 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 147610205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).