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

C73H64Br3F2N21O3 — CID 157451304

IUPAC4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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.Fc1ccccc1-c1cc(NCc2cncnc2)n2ncc(Br)c2n1.O=c1cc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc[nH]1.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1
InChIInChI=1S/C20H19N5O.C18H13BrFN5O.C18H20BrN5O.C17H12BrFN6/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;19-13-10-23-25-16(22-9-11-5-6-21-17(26)7-11)8-15(24-18(13)25)12-3-1-2-4-14(12)20;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;18-13-9-23-25-16(22-8-11-6-20-10-21-7-11)5-15(24-17(13)25)12-3-1-2-4-14(12)19/h3-11,13,22H,2,12H2,1H3,(H,21,26);1-8,10,22H,9H2,(H,21,26);6-9,11,13,21H,1-5,10H2,(H,20,25);1-7,9-10,22H,8H2
InChIKeyBSVINQPKRCXYBD-UHFFFAOYSA-N
MW1561.17 g/mol
LogP14.40
Rot. Bonds17

About 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 157451304) has the molecular formula C73H64Br3F2N21O3 and a molecular weight of 1561.17 g/mol. Its IUPAC name is 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID157451304
Molecular FormulaC73H64Br3F2N21O3
Molecular Weight1561.17 g/mol
Exact Mass1557.30
IUPAC Name4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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.Fc1ccccc1-c1cc(NCc2cncnc2)n2ncc(Br)c2n1.O=c1cc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc[nH]1.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1
InChIInChI=1S/C20H19N5O.C18H13BrFN5O.C18H20BrN5O.C17H12BrFN6/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;19-13-10-23-25-16(22-9-11-5-6-21-17(26)7-11)8-15(24-18(13)25)12-3-1-2-4-14(12)20;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;18-13-9-23-25-16(22-8-11-6-20-10-21-7-11)5-15(24-17(13)25)12-3-1-2-4-14(12)19/h3-11,13,22H,2,12H2,1H3,(H,21,26);1-8,10,22H,9H2,(H,21,26);6-9,11,13,21H,1-5,10H2,(H,20,25);1-7,9-10,22H,8H2
InChIKeyBSVINQPKRCXYBD-UHFFFAOYSA-N
XLogP14.40
TPSA293.24 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms102
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.17
LogP ≤ 514.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

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

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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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one (CID 157451304) is 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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.Fc1ccccc1-c1cc(NCc2cncnc2)n2ncc(Br)c2n1.O=c1cc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc[nH]1.O=c1cc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)cc[nH]1.
What is the InChIKey of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is BSVINQPKRCXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C18H13BrFN5O.C18H20BrN5O.C17H12BrFN6/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;19-13-10-23-25-16(22-9-11-5-6-21-17(26)7-11)8-15(24-18(13)25)12-3-1-2-4-14(12)20;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;18-13-9-23-25-16(22-8-11-6-20-10-21-7-11)5-15(24-17(13)25)12-3-1-2-4-14(12)19/h3-11,13,22H,2,12H2,1H3,(H,21,26);1-8,10,22H,9H2,(H,21,26);6-9,11,13,21H,1-5,10H2,(H,20,25);1-7,9-10,22H,8H2.
What are the key properties of 4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 1561.17 g/mol, XLogP of 14.40, 17 rotatable bonds, 7 hydrogen bond donors, and 21 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;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;3-bromo-5-(2-fluorophenyl)-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 157451304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).