tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C149H166FN23O5 — CID 159736500

IUPACtris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC.C.C.C.C.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(F)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2
InChIInChI=1S/3C31H33N5O.C27H25N5O.C24H22FN3O.5CH4/c3*1-21(2)26-10-6-7-11-27(26)30-32-19-24-18-29(37)35(31(24)33-30)20-22-12-14-25(15-13-22)36-17-16-28(34-36)23-8-4-3-5-9-23;1-18(2)22-6-3-4-7-23(22)25-28-17-19-16-24(33)32(26(19)30-25)27(12-13-27)20-8-10-21(11-9-20)31-15-5-14-29-31;1-15(2)19-5-3-4-6-20(19)22-26-14-16-13-21(29)28(23(16)27-22)24(11-12-24)17-7-9-18(25)10-8-17;;;;;/h3*6-7,10-17,19,21,23H,3-5,8-9,18,20H2,1-2H3;3-11,14-15,17-18H,12-13,16H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;5*1H4
InChIKeyNBXHNRDWIRYEOG-UHFFFAOYSA-N
MW2378.12 g/mol
LogP32.97
Rot. Bonds27

About tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159736500) has the molecular formula C149H166FN23O5 and a molecular weight of 2378.12 g/mol. Its IUPAC name is tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Nametris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159736500
Molecular FormulaC149H166FN23O5
Molecular Weight2378.12 g/mol
Exact Mass2376.34
IUPAC Nametris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESC.C.C.C.C.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(F)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2
InChIInChI=1S/3C31H33N5O.C27H25N5O.C24H22FN3O.5CH4/c3*1-21(2)26-10-6-7-11-27(26)30-32-19-24-18-29(37)35(31(24)33-30)20-22-12-14-25(15-13-22)36-17-16-28(34-36)23-8-4-3-5-9-23;1-18(2)22-6-3-4-7-23(22)25-28-17-19-16-24(33)32(26(19)30-25)27(12-13-27)20-8-10-21(11-9-20)31-15-5-14-29-31;1-15(2)19-5-3-4-6-20(19)22-26-14-16-13-21(29)28(23(16)27-22)24(11-12-24)17-7-9-18(25)10-8-17;;;;;/h3*6-7,10-17,19,21,23H,3-5,8-9,18,20H2,1-2H3;3-11,14-15,17-18H,12-13,16H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;5*1H4
InChIKeyNBXHNRDWIRYEOG-UHFFFAOYSA-N
XLogP32.97
TPSA301.73 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.12
LogP ≤ 532.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159736500) is tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is C.C.C.C.C.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(F)cc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C4CCCCC4)n3)cc1)C(=O)C2.
What is the InChIKey of tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NBXHNRDWIRYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H33N5O.C27H25N5O.C24H22FN3O.5CH4/c3*1-21(2)26-10-6-7-11-27(26)30-32-19-24-18-29(37)35(31(24)33-30)20-22-12-14-25(15-13-22)36-17-16-28(34-36)23-8-4-3-5-9-23;1-18(2)22-6-3-4-7-23(22)25-28-17-19-16-24(33)32(26(19)30-25)27(12-13-27)20-8-10-21(11-9-20)31-15-5-14-29-31;1-15(2)19-5-3-4-6-20(19)22-26-14-16-13-21(29)28(23(16)27-22)24(11-12-24)17-7-9-18(25)10-8-17;;;;;/h3*6-7,10-17,19,21,23H,3-5,8-9,18,20H2,1-2H3;3-11,14-15,17-18H,12-13,16H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;5*1H4.
What are the key properties of tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2378.12 g/mol, XLogP of 32.97, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159736500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).