ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H32N6O — CID 171081168

IUPACethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO.CCc1cnn2c(NCc3ccc(C)nc3)cc(N3CCCCC3)nc12
InChIInChI=1S/C20H26N6.C2H6O/c1-3-17-14-23-26-18(22-13-16-8-7-15(2)21-12-16)11-19(24-20(17)26)25-9-5-4-6-10-25;1-2-3/h7-8,11-12,14,22H,3-6,9-10,13H2,1-2H3;3H,2H2,1H3
InChIKeyBDIUGZZURBCXDM-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.60
Rot. Bonds5

About ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171081168) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171081168
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Nameethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO.CCc1cnn2c(NCc3ccc(C)nc3)cc(N3CCCCC3)nc12
InChIInChI=1S/C20H26N6.C2H6O/c1-3-17-14-23-26-18(22-13-16-8-7-15(2)21-12-16)11-19(24-20(17)26)25-9-5-4-6-10-25;1-2-3/h7-8,11-12,14,22H,3-6,9-10,13H2,1-2H3;3H,2H2,1H3
InChIKeyBDIUGZZURBCXDM-UHFFFAOYSA-N
XLogP3.60
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

ethanol;3-ethyl-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145499610
ethanol;3-ethyl-5-piperidin-1-yl-N-[[6-[2-(piperidin-4-ylmethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 171070372
tert-butyl 4-[3-[[5-[[(3-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]oxy]propyl]piperazine-1-carboxylate
CID 171081083
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate
CID 175873921
2-[1-[7-[[6-(4,4-dimethoxybutoxy)-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 171070471
3-ethyl-5-[(2S)-2-methylpiperidin-1-yl]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176735359
methyl (E)-4-[2-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
CID 175886675
tert-butyl 4-[3-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]propyl]piperazine-1-carboxylate
CID 171070416
4-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl-methylamino]but-2-enoic acid
CID 175874006
2-[(2S)-1-[3-ethyl-7-[[6-[2-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]ethoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 171070516

Frequently Asked Questions

What is the IUPAC name of ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 171081168) is ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCO.CCc1cnn2c(NCc3ccc(C)nc3)cc(N3CCCCC3)nc12.
What is the InChIKey of ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BDIUGZZURBCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6.C2H6O/c1-3-17-14-23-26-18(22-13-16-8-7-15(2)21-12-16)11-19(24-20(17)26)25-9-5-4-6-10-25;1-2-3/h7-8,11-12,14,22H,3-6,9-10,13H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 396.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171081168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).