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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C145H149N23O5 — CID 167659700

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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)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.Cc1ccc(C2(N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)CC2)cc1
InChIInChI=1S/3C31H33N5O.C27H25N5O.C25H25N3O/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;1-16(2)20-6-4-5-7-21(20)23-26-15-18-14-22(29)28(24(18)27-23)25(12-13-25)19-10-8-17(3)9-11-19/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;4-11,15-16H,12-14H2,1-3H3
InChIKeyRTXKNVABHSTGMB-UHFFFAOYSA-N
MW2293.94 g/mol
LogP29.95
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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167659700) has the molecular formula C145H149N23O5 and a molecular weight of 2293.94 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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID167659700
Molecular FormulaC145H149N23O5
Molecular Weight2293.94 g/mol
Exact Mass2292.21
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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)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.Cc1ccc(C2(N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)CC2)cc1
InChIInChI=1S/3C31H33N5O.C27H25N5O.C25H25N3O/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;1-16(2)20-6-4-5-7-21(20)23-26-15-18-14-22(29)28(24(18)27-23)25(12-13-25)19-10-8-17(3)9-11-19/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;4-11,15-16H,12-14H2,1-3H3
InChIKeyRTXKNVABHSTGMB-UHFFFAOYSA-N
XLogP29.95
TPSA301.73 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.94
LogP ≤ 529.95
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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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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Related Compounds

7-[[4-(3-ethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167672376
7-[[4-(4-piperidin-4-ylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160963219
7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158042379
7-[[4-(5-methyltetrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160815590
7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158016717
7-[[4-[1-methyl-5-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158547040
7-[[4-(5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159536722
2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158244595
7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157255622
7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157394842
7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158683627
7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167678563

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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167659700) 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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(C1(c3ccc(-n4cccn4)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.Cc1ccc(C2(N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)CC2)cc1.
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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is RTXKNVABHSTGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H33N5O.C27H25N5O.C25H25N3O/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;1-16(2)20-6-4-5-7-21(20)23-26-15-18-14-22(29)28(24(18)27-23)25(12-13-25)19-10-8-17(3)9-11-19/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;4-11,15-16H,12-14H2,1-3H3.
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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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 2293.94 g/mol, XLogP of 29.95, 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-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;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 167659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).