[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane

C91H134N26O5 — CID 159350881

IUPAC[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane
SMILESC.C.C.C=C1C=C(CNc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)C=CN1CC.CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N3CCCC[C@H]3CCO)nc12
InChIInChI=1S/C24H34N6O.C23H31N5O2.C21H29N7O.C20H28N8O.3CH4/c1-4-20-17-26-30-22(25-16-19-9-12-28(5-2)18(3)14-19)15-23(27-24(20)30)29-11-7-6-8-21(29)10-13-31;1-3-17-13-25-28-21(24-12-16-8-9-22(30)27(2)14-16)11-20(26-23(17)28)10-18-6-4-5-7-19(18)15-29;1-2-15-12-26-28-19(23-9-14-10-24-21(22)25-11-14)8-18(27-20(15)28)7-16-5-3-4-6-17(16)13-29;1-2-15-13-25-28-17(22-10-14-11-23-20(21)24-12-14)9-18(26-19(15)28)27-7-4-3-5-16(27)6-8-29;;;/h9,12,14-15,17,21,25,31H,3-8,10-11,13,16H2,1-2H3;8-9,11,13-14,18-19,24,29H,3-7,10,12,15H2,1-2H3;8,10-12,16-17,23,29H,2-7,9,13H2,1H3,(H2,22,24,25);9,11-13,16,22,29H,2-8,10H2,1H3,(H2,21,23,24);3*1H4/t21-;18-,19+;16-,17+;16-;;;/m0110.../s1
InChIKeyLHHQXACZYKUSQR-CPFNREHMSA-N
MW1672.25 g/mol
LogP13.22
Rot. Bonds29

About [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane

[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane (PubChem CID 159350881) has the molecular formula C91H134N26O5 and a molecular weight of 1672.25 g/mol. Its IUPAC name is [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane.

Molecular Properties

Compound Name[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane
PubChem CID159350881
Molecular FormulaC91H134N26O5
Molecular Weight1672.25 g/mol
Exact Mass1671.10
IUPAC Name[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane
SMILESC.C.C.C=C1C=C(CNc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)C=CN1CC.CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N3CCCC[C@H]3CCO)nc12
InChIInChI=1S/C24H34N6O.C23H31N5O2.C21H29N7O.C20H28N8O.3CH4/c1-4-20-17-26-30-22(25-16-19-9-12-28(5-2)18(3)14-19)15-23(27-24(20)30)29-11-7-6-8-21(29)10-13-31;1-3-17-13-25-28-21(24-12-16-8-9-22(30)27(2)14-16)11-20(26-23(17)28)10-18-6-4-5-7-19(18)15-29;1-2-15-12-26-28-19(23-9-14-10-24-21(22)25-11-14)8-18(27-20(15)28)7-16-5-3-4-6-17(16)13-29;1-2-15-13-25-28-17(22-10-14-11-23-20(21)24-12-14)9-18(26-19(15)28)27-7-4-3-5-16(27)6-8-29;;;/h9,12,14-15,17,21,25,31H,3-8,10-11,13,16H2,1-2H3;8-9,11,13-14,18-19,24,29H,3-7,10,12,15H2,1-2H3;8,10-12,16-17,23,29H,2-7,9,13H2,1H3,(H2,22,24,25);9,11-13,16,22,29H,2-8,10H2,1H3,(H2,21,23,24);3*1H4/t21-;18-,19+;16-,17+;16-;;;/m0110.../s1
InChIKeyLHHQXACZYKUSQR-CPFNREHMSA-N
XLogP13.22
TPSA385.12 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001672.25
LogP ≤ 513.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane?
The IUPAC name of [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane (CID 159350881) is [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane.
What is the SMILES notation for [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane?
The canonical SMILES for [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane is C.C.C.C=C1C=C(CNc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)C=CN1CC.CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(C[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N3CCCC[C@H]3CCO)nc12.
What is the InChIKey of [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane?
The InChIKey is LHHQXACZYKUSQR-CPFNREHMSA-N. The full InChI is InChI=1S/C24H34N6O.C23H31N5O2.C21H29N7O.C20H28N8O.3CH4/c1-4-20-17-26-30-22(25-16-19-9-12-28(5-2)18(3)14-19)15-23(27-24(20)30)29-11-7-6-8-21(29)10-13-31;1-3-17-13-25-28-21(24-12-16-8-9-22(30)27(2)14-16)11-20(26-23(17)28)10-18-6-4-5-7-19(18)15-29;1-2-15-12-26-28-19(23-9-14-10-24-21(22)25-11-14)8-18(27-20(15)28)7-16-5-3-4-6-17(16)13-29;1-2-15-13-25-28-17(22-10-14-11-23-20(21)24-12-14)9-18(26-19(15)28)27-7-4-3-5-16(27)6-8-29;;;/h9,12,14-15,17,21,25,31H,3-8,10-11,13,16H2,1-2H3;8-9,11,13-14,18-19,24,29H,3-7,10,12,15H2,1-2H3;8,10-12,16-17,23,29H,2-7,9,13H2,1H3,(H2,22,24,25);9,11-13,16,22,29H,2-8,10H2,1H3,(H2,21,23,24);3*1H4/t21-;18-,19+;16-,17+;16-;;;/m0110.../s1.
What are the key properties of [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane?
[(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane has a molecular weight of 1672.25 g/mol, XLogP of 13.22, 29 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2S)-1-[3-ethyl-7-[(1-ethyl-2-methylidene-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;5-[[[3-ethyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;methane is sourced from PubChem (CID 159350881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).