8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C26H30N4 — CID 157036454

IUPAC8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cccc2c(-c3cnn4cc(C5CCCCC(C)CCC5)cnc34)ccnc12
InChIInChI=1S/C26H30N4/c1-18-7-3-4-10-20(11-5-8-18)21-15-28-26-24(16-29-30(26)17-21)22-13-14-27-25-19(2)9-6-12-23(22)25/h6,9,12-18,20H,3-5,7-8,10-11H2,1-2H3
InChIKeyFZDMTFRTXLBPGE-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.72
Rot. Bonds2

About 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 157036454) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID157036454
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC Name8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCc1cccc2c(-c3cnn4cc(C5CCCCC(C)CCC5)cnc34)ccnc12
InChIInChI=1S/C26H30N4/c1-18-7-3-4-10-20(11-5-8-18)21-15-28-26-24(16-29-30(26)17-21)22-13-14-27-25-19(2)9-6-12-23(22)25/h6,9,12-18,20H,3-5,7-8,10-11H2,1-2H3
InChIKeyFZDMTFRTXLBPGE-UHFFFAOYSA-N
XLogP6.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 166824971
4-[6-[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894238
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
CID 144728106
2-cyclopropyl-7-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86820080
ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464341
2-deuterio-4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894258
8-cyclobutyl-3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 123656345
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 130214229
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 157036454) is 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is Cc1cccc2c(-c3cnn4cc(C5CCCCC(C)CCC5)cnc34)ccnc12.
What is the InChIKey of 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is FZDMTFRTXLBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4/c1-18-7-3-4-10-20(11-5-8-18)21-15-28-26-24(16-29-30(26)17-21)22-13-14-27-25-19(2)9-6-12-23(22)25/h6,9,12-18,20H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 398.55 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[6-(5-methylcyclononyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 157036454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).