4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

C74H73Br3N20O4 — CID 157277333

IUPAC4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1.O=c1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)c[nH]1.O=c1ccc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)c[nH]1
InChIInChI=1S/C20H19N5O.C18H20BrN5O.C18H14BrN5O.C18H20BrN5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16;2*19-14-11-22-24-16(20-9-12-6-7-17(25)21-10-12)8-15(23-18(14)24)13-4-2-1-3-5-13;19-14-11-22-24-16(21-10-12-6-7-20-17(25)8-12)9-15(23-18(14)24)13-4-2-1-3-5-13/h3-11,13,22H,2,12H2,1H3,(H,21,26);6-8,10-11,13,20H,1-5,9H2,(H,21,25);1-8,10-11,20H,9H2,(H,21,25);6-9,11,13,21H,1-5,10H2,(H,20,25)
InChIKeyAZGKNCVYEBMLAF-UHFFFAOYSA-N
MW1546.25 g/mol
LogP14.40
Rot. Bonds17

About 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one

4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 157277333) has the molecular formula C74H73Br3N20O4 and a molecular weight of 1546.25 g/mol. Its IUPAC name is 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID157277333
Molecular FormulaC74H73Br3N20O4
Molecular Weight1546.25 g/mol
Exact Mass1542.37
IUPAC Name4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1.O=c1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)c[nH]1.O=c1ccc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)c[nH]1
InChIInChI=1S/C20H19N5O.C18H20BrN5O.C18H14BrN5O.C18H20BrN5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16;2*19-14-11-22-24-16(20-9-12-6-7-17(25)21-10-12)8-15(23-18(14)24)13-4-2-1-3-5-13;19-14-11-22-24-16(21-10-12-6-7-20-17(25)8-12)9-15(23-18(14)24)13-4-2-1-3-5-13/h3-11,13,22H,2,12H2,1H3,(H,21,26);6-8,10-11,13,20H,1-5,9H2,(H,21,25);1-8,10-11,20H,9H2,(H,21,25);6-9,11,13,21H,1-5,10H2,(H,20,25)
InChIKeyAZGKNCVYEBMLAF-UHFFFAOYSA-N
XLogP14.40
TPSA300.32 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001546.25
LogP ≤ 514.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(2-phenylethyl)benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 157510763
3-bromo-5-(oxan-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159700391
(E)-1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 21065357
(E)-1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 21065363
(E)-1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 21065435
(E)-1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 21065440
(E)-1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 58781248
(E)-1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 58781375
[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-phenylcyclohexa-2,4-dien-1-yl)methanone
CID 70877163
(E)-1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methyl-3-(2-methylphenyl)prop-2-en-1-one
CID 71213582
1-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 72421909
1-[3-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 72421918

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (CID 157277333) is 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is CCc1cnn2c(NCc3cc[nH]c(=O)c3)cc(-c3ccccc3)nc12.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1.O=c1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)c[nH]1.O=c1ccc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)c[nH]1.
What is the InChIKey of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is AZGKNCVYEBMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C18H20BrN5O.C18H14BrN5O.C18H20BrN5O/c1-2-15-13-23-25-18(22-12-14-8-9-21-19(26)10-14)11-17(24-20(15)25)16-6-4-3-5-7-16;2*19-14-11-22-24-16(20-9-12-6-7-17(25)21-10-12)8-15(23-18(14)24)13-4-2-1-3-5-13;19-14-11-22-24-16(21-10-12-6-7-20-17(25)8-12)9-15(23-18(14)24)13-4-2-1-3-5-13/h3-11,13,22H,2,12H2,1H3,(H,21,26);6-8,10-11,13,20H,1-5,9H2,(H,21,25);1-8,10-11,20H,9H2,(H,21,25);6-9,11,13,21H,1-5,10H2,(H,20,25).
What are the key properties of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 1546.25 g/mol, XLogP of 14.40, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 157277333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).