ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C54H74N12O5Si2 — CID 158685919

IUPACethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C32H48N6O3Si2.C20H20N6O.C2H6O/c1-42(2,3)17-15-40-24-37(25-41-16-18-43(4,5)6)31-20-28(23-36-11-13-39-14-12-36)35-32-29(22-34-38(31)32)27-19-26-9-7-8-10-30(26)33-21-27;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-2-3/h7-10,19-22H,11-18,23-25H2,1-6H3;1-4,9-12H,5-8,13,21H2;3H,2H2,1H3
InChIKeyIFSSIGJCCFDOEA-UHFFFAOYSA-N
MW1027.44 g/mol
LogP8.57
Rot. Bonds17

About ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158685919) has the molecular formula C54H74N12O5Si2 and a molecular weight of 1027.44 g/mol. Its IUPAC name is ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158685919
Molecular FormulaC54H74N12O5Si2
Molecular Weight1027.44 g/mol
Exact Mass1026.54
IUPAC Nameethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCO.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C32H48N6O3Si2.C20H20N6O.C2H6O/c1-42(2,3)17-15-40-24-37(25-41-16-18-43(4,5)6)31-20-28(23-36-11-13-39-14-12-36)35-32-29(22-34-38(31)32)27-19-26-9-7-8-10-30(26)33-21-27;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-2-3/h7-10,19-22H,11-18,23-25H2,1-6H3;1-4,9-12H,5-8,13,21H2;3H,2H2,1H3
InChIKeyIFSSIGJCCFDOEA-UHFFFAOYSA-N
XLogP8.57
TPSA179.05 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.44
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
Pyrazolo pyrimidine, 5n
CID 44520818
2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl)methylamino)ethanol
CID 44572055
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728539
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728565
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethyl-N-(2-methoxyethyl)-N-methylquinolin-4-amine
CID 156303996
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethyl-N-(2-methoxyethyl)quinolin-4-amine
CID 156304091
2-[4-[2-[3-[(8-Methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
CID 56602782

Frequently Asked Questions

What is the IUPAC name of ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158685919) is ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCO.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IFSSIGJCCFDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O3Si2.C20H20N6O.C2H6O/c1-42(2,3)17-15-40-24-37(25-41-16-18-43(4,5)6)31-20-28(23-36-11-13-39-14-12-36)35-32-29(22-34-38(31)32)27-19-26-9-7-8-10-30(26)33-21-27;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-2-3/h7-10,19-22H,11-18,23-25H2,1-6H3;1-4,9-12H,5-8,13,21H2;3H,2H2,1H3.
What are the key properties of ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1027.44 g/mol, XLogP of 8.57, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158685919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).