ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C30H33N7 — CID 163296493

IUPACethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESC=C.Cc1ccc2c(-c3cnn4cc(-c5ccc(CCCN6CCNCC6)cn5)cnc34)cccc2n1
InChIInChI=1S/C28H29N7.C2H4/c1-20-7-9-24-23(5-2-6-27(24)33-20)25-18-32-35-19-22(17-31-28(25)35)26-10-8-21(16-30-26)4-3-13-34-14-11-29-12-15-34;1-2/h2,5-10,16-19,29H,3-4,11-15H2,1H3;1-2H2
InChIKeyUAFRESXSGXSBKW-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.95
Rot. Bonds6

About ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 163296493) has the molecular formula C30H33N7 and a molecular weight of 491.64 g/mol. Its IUPAC name is ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Nameethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID163296493
Molecular FormulaC30H33N7
Molecular Weight491.64 g/mol
Exact Mass491.28
IUPAC Nameethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESC=C.Cc1ccc2c(-c3cnn4cc(-c5ccc(CCCN6CCNCC6)cn5)cnc34)cccc2n1
InChIInChI=1S/C28H29N7.C2H4/c1-20-7-9-24-23(5-2-6-27(24)33-20)25-18-32-35-19-22(17-31-28(25)35)26-10-8-21(16-30-26)4-3-13-34-14-11-29-12-15-34;1-2/h2,5-10,16-19,29H,3-4,11-15H2,1H3;1-2H2
InChIKeyUAFRESXSGXSBKW-UHFFFAOYSA-N
XLogP4.95
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
CID 123462849
2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894255
5-[6-(3-chloro-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-ethenyliodanuidylquinoline
CID 157036629
2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464241
3-(4-ethylsulfanylnaphthalen-1-yl)-6-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 167059580
4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine
CID 118894264
3-[2,3-bis(ethenyl)-4-pyridinyl]-6-[6-(3-piperazin-1-ylpropyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 163296494
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 170419534
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
N-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]sulfanylmethanamine
CID 167058498
4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
CID 142464186

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 163296493) is ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is C=C.Cc1ccc2c(-c3cnn4cc(-c5ccc(CCCN6CCNCC6)cn5)cnc34)cccc2n1.
What is the InChIKey of ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is UAFRESXSGXSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7.C2H4/c1-20-7-9-24-23(5-2-6-27(24)33-20)25-18-32-35-19-22(17-31-28(25)35)26-10-8-21(16-30-26)4-3-13-34-14-11-29-12-15-34;1-2/h2,5-10,16-19,29H,3-4,11-15H2,1H3;1-2H2.
What are the key properties of ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 491.64 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-5-[6-[5-(3-piperazin-1-ylpropyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 163296493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).