1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C62H79N11O3Si2 — CID 158248079

IUPAC1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.CC(=O)c1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C38H55N5O2Si2.C24H24N6O/c1-29(2)35-36(31-17-13-10-14-18-31)41-37-33(32-19-20-34(39-25-32)30-15-11-9-12-16-30)26-40-43(37)38(35)42(27-44-21-23-46(3,4)5)28-45-22-24-47(6,7)8;1-15(31)21-22(17-9-11-26-12-10-17)29-24-19(14-28-30(24)23(21)25)18-7-8-20(27-13-18)16-5-3-2-4-6-16/h9,11-12,15-16,19-20,25-26,31H,1,10,13-14,17-18,21-24,27-28H2,2-8H3;2-8,13-14,17,26H,9-12,25H2,1H3
InChIKeyGGJIOSDZRFUDII-UHFFFAOYSA-N
MW1082.56 g/mol
LogP13.68
Rot. Bonds19

About 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158248079) has the molecular formula C62H79N11O3Si2 and a molecular weight of 1082.56 g/mol. Its IUPAC name is 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158248079
Molecular FormulaC62H79N11O3Si2
Molecular Weight1082.56 g/mol
Exact Mass1081.59
IUPAC Name1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.CC(=O)c1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C38H55N5O2Si2.C24H24N6O/c1-29(2)35-36(31-17-13-10-14-18-31)41-37-33(32-19-20-34(39-25-32)30-15-11-9-12-16-30)26-40-43(37)38(35)42(27-44-21-23-46(3,4)5)28-45-22-24-47(6,7)8;1-15(31)21-22(17-9-11-26-12-10-17)29-24-19(14-28-30(24)23(21)25)18-7-8-20(27-13-18)16-5-3-2-4-6-16/h9,11-12,15-16,19-20,25-26,31H,1,10,13-14,17-18,21-24,27-28H2,2-8H3;2-8,13-14,17,26H,9-12,25H2,1H3
InChIKeyGGJIOSDZRFUDII-UHFFFAOYSA-N
XLogP13.68
TPSA162.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.56
LogP ≤ 513.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

(1R,5S)-3-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67295065
(1R,5S)-3-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67295178
3-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 68072330
(5S)-3-[6-acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71115794
3-[6-Acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71115796
(5S)-3-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71115813
3-[6-Acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71115815
bis[2-[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-4-fluorophenyl]methanone
CID 123658844
7-Amino-5-(1-buta-2,3-dien-2-ylpiperidin-4-yl)-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 144071902
(5R)-3-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 144226265
2-methyl-N-(5-methyl-2-pyridinyl)-1-[[2-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 145564748
tert-butyl 4-[[4-[2-amino-8-[[(2S)-butan-2-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 155213770

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158248079) is 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C=C(C)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.CC(=O)c1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGJIOSDZRFUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N5O2Si2.C24H24N6O/c1-29(2)35-36(31-17-13-10-14-18-31)41-37-33(32-19-20-34(39-25-32)30-15-11-9-12-16-30)26-40-43(37)38(35)42(27-44-21-23-46(3,4)5)28-45-22-24-47(6,7)8;1-15(31)21-22(17-9-11-26-12-10-17)29-24-19(14-28-30(24)23(21)25)18-7-8-20(27-13-18)16-5-3-2-4-6-16/h9,11-12,15-16,19-20,25-26,31H,1,10,13-14,17-18,21-24,27-28H2,2-8H3;2-8,13-14,17,26H,9-12,25H2,1H3.
What are the key properties of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1082.56 g/mol, XLogP of 13.68, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;5-cyclohexyl-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158248079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).