ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine

C28H31N7 — CID 144728106

IUPACethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
SMILESCC.NCc1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc12
InChIInChI=1S/C26H25N7.C2H6/c27-14-19-2-1-3-23-22(8-9-29-25(19)23)24-16-31-33-17-20(15-30-26(24)33)18-4-6-21(7-5-18)32-12-10-28-11-13-32;1-2/h1-9,15-17,28H,10-14,27H2;1-2H3
InChIKeyRFELSARDBFVIDO-UHFFFAOYSA-N
MW465.61 g/mol
LogP4.51
Rot. Bonds4

About ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine

ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine (PubChem CID 144728106) has the molecular formula C28H31N7 and a molecular weight of 465.61 g/mol. Its IUPAC name is ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine.

Molecular Properties

Compound Nameethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
PubChem CID144728106
Molecular FormulaC28H31N7
Molecular Weight465.61 g/mol
Exact Mass465.26
IUPAC Nameethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
SMILESCC.NCc1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc12
InChIInChI=1S/C26H25N7.C2H6/c27-14-19-2-1-3-23-22(8-9-29-25(19)23)24-16-31-33-17-20(15-30-26(24)33)18-4-6-21(7-5-18)32-12-10-28-11-13-32;1-2/h1-9,15-17,28H,10-14,27H2;1-2H3
InChIKeyRFELSARDBFVIDO-UHFFFAOYSA-N
XLogP4.51
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
CID 158576099
4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
CID 163296473
N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide
CID 140797509
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-7-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one
CID 166500893

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine?
The IUPAC name of ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine (CID 144728106) is ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine.
What is the SMILES notation for ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine?
The canonical SMILES for ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine is CC.NCc1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc12.
What is the InChIKey of ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine?
The InChIKey is RFELSARDBFVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7.C2H6/c27-14-19-2-1-3-23-22(8-9-29-25(19)23)24-16-31-33-17-20(15-30-26(24)33)18-4-6-21(7-5-18)32-12-10-28-11-13-32;1-2/h1-9,15-17,28H,10-14,27H2;1-2H3.
What are the key properties of ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine?
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine has a molecular weight of 465.61 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine is sourced from PubChem (CID 144728106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).