5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid

C60H75F3N10O4Si2 — CID 158709154

IUPAC5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.O=C(O)C(F)(F)F
InChIInChI=1S/C35H51N5O2Si2.C23H23N5.C2HF3O2/c1-43(2,3)21-19-41-26-39(27-42-20-22-44(4,5)6)34-23-33(29-15-11-8-12-16-29)38-35-31(25-37-40(34)35)30-17-18-32(36-24-30)28-13-9-7-10-14-28;24-22-13-21(17-9-5-2-6-10-17)27-23-19(15-26-28(22)23)18-11-12-20(25-14-18)16-7-3-1-4-8-16;3-2(4,5)1(6)7/h7,9-10,13-14,17-18,23-25,29H,8,11-12,15-16,19-22,26-27H2,1-6H3;1,3-4,7-8,11-15,17H,2,5-6,9-10,24H2;(H,6,7)
InChIKeyUKBPGMVVOPXPMP-UHFFFAOYSA-N
MW1113.49 g/mol
LogP14.66
Rot. Bonds17

About 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid

5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid (PubChem CID 158709154) has the molecular formula C60H75F3N10O4Si2 and a molecular weight of 1113.49 g/mol. Its IUPAC name is 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
PubChem CID158709154
Molecular FormulaC60H75F3N10O4Si2
Molecular Weight1113.49 g/mol
Exact Mass1112.55
IUPAC Name5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.O=C(O)C(F)(F)F
InChIInChI=1S/C35H51N5O2Si2.C23H23N5.C2HF3O2/c1-43(2,3)21-19-41-26-39(27-42-20-22-44(4,5)6)34-23-33(29-15-11-8-12-16-29)38-35-31(25-37-40(34)35)30-17-18-32(36-24-30)28-13-9-7-10-14-28;24-22-13-21(17-9-5-2-6-10-17)27-23-19(15-26-28(22)23)18-11-12-20(25-14-18)16-7-3-1-4-8-16;3-2(4,5)1(6)7/h7,9-10,13-14,17-18,23-25,29H,8,11-12,15-16,19-22,26-27H2,1-6H3;1,3-4,7-8,11-15,17H,2,5-6,9-10,24H2;(H,6,7)
InChIKeyUKBPGMVVOPXPMP-UHFFFAOYSA-N
XLogP14.66
TPSA171.18 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.49
LogP ≤ 514.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 168319980
4-[1-(1-Cyclopentyl-2-cyclopropylethyl)-1h-pyrazol-4-yl]-7-[2-(trimethylsilyl)ethoxy]methyl-7h-pyrrolo[2,3-d]pyrimidine trifluoroacetate salt
CID 66597725
Tert-butyl 7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl(piperidin-4-ylmethyl)carbamate
CID 66733694
(1-Benzylpiperidin-4-yl)methyl-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]carbamic acid
CID 66733894
tert-butyl 4-(8-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(6-fluoroquinolin-3-yl)-7-methyl-5H-pyrazolo[1,5-a]pyrrolo[2,3-d]pyrimidin-5-yl)piperidine-1-carboxylate
CID 66980243
4-[[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylic acid
CID 66980318
butyl N-[1-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]piperidin-4-yl]carbamate
CID 67014705
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(3-fluoro-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294657
Tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-fluoro-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294669
Tert-butyl 3-{7-(bis{[2-(trimethylsilyl)ethoxy]methyl}amino)-3-[6-(2,6-difluorophenyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl}-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294707
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-fluoro-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294977
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(2,6-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67295139

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid (CID 158709154) is 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UKBPGMVVOPXPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N5O2Si2.C23H23N5.C2HF3O2/c1-43(2,3)21-19-41-26-39(27-42-20-22-44(4,5)6)34-23-33(29-15-11-8-12-16-29)38-35-31(25-37-40(34)35)30-17-18-32(36-24-30)28-13-9-7-10-14-28;24-22-13-21(17-9-5-2-6-10-17)27-23-19(15-26-28(22)23)18-11-12-20(25-14-18)16-7-3-1-4-8-16;3-2(4,5)1(6)7/h7,9-10,13-14,17-18,23-25,29H,8,11-12,15-16,19-22,26-27H2,1-6H3;1,3-4,7-8,11-15,17H,2,5-6,9-10,24H2;(H,6,7).
What are the key properties of 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid?
5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1113.49 g/mol, XLogP of 14.66, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158709154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).