(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one

C115H129F2N21O7 — CID 158500848

IUPAC(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one
SMILESCc1ccc(-c2cc3c(N4CCN(C(=O)C[C@@H](C)c5cccc(N(C)C)c5)CC4)ncnc3[nH]2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4cccc(OC(F)F)c4)[C@H](C)C3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)Nc4ccc(OC(C)(C)C)cc4)CC3)C2)cc1.[2H]C([2H])([2H])Oc1cccc([C@H](C)CC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(C)cc5)cc34)CC2)c1
InChIInChI=1S/C29H31F2N5O2.C29H34N6O.C29H33N5O2.C28H31N5O2/c1-18-7-9-21(10-8-18)23-14-25-26(15-23)32-17-33-27(25)35-11-12-36(19(2)16-35)29(37)34-20(3)22-5-4-6-24(13-22)38-28(30)31;1-20-8-10-22(11-9-20)26-18-25-28(32-26)30-19-31-29(25)35-14-12-34(13-15-35)27(36)16-21(2)23-6-5-7-24(17-23)33(3)4;1-20-5-7-21(8-6-20)22-17-25-26(18-22)30-19-31-27(25)33-13-15-34(16-14-33)28(35)32-23-9-11-24(12-10-23)36-29(2,3)4;1-19-7-9-21(10-8-19)25-17-24-27(31-25)29-18-30-28(24)33-13-11-32(12-14-33)26(34)15-20(2)22-5-4-6-23(16-22)35-3/h4-10,13-14,17,19-20,28H,11-12,15-16H2,1-3H3,(H,34,37);5-11,17-19,21H,12-16H2,1-4H3,(H,30,31,32);5-12,17,19H,13-16,18H2,1-4H3,(H,32,35);4-10,16-18,20H,11-15H2,1-3H3,(H,29,30,31)/t19-,20+;21-;;20-/m11.1/s1/i;;;3D3
InChIKeyHJWJGLGCORCRRM-XAOVBIAQSA-N
MW1958.45 g/mol
LogP20.50
Rot. Bonds23

About (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one

(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one (PubChem CID 158500848) has the molecular formula C115H129F2N21O7 and a molecular weight of 1958.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one
PubChem CID158500848
Molecular FormulaC115H129F2N21O7
Molecular Weight1958.45 g/mol
Exact Mass1957.05
IUPAC Name(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one
SMILESCc1ccc(-c2cc3c(N4CCN(C(=O)C[C@@H](C)c5cccc(N(C)C)c5)CC4)ncnc3[nH]2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4cccc(OC(F)F)c4)[C@H](C)C3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)Nc4ccc(OC(C)(C)C)cc4)CC3)C2)cc1.[2H]C([2H])([2H])Oc1cccc([C@H](C)CC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(C)cc5)cc34)CC2)c1
InChIInChI=1S/C29H31F2N5O2.C29H34N6O.C29H33N5O2.C28H31N5O2/c1-18-7-9-21(10-8-18)23-14-25-26(15-23)32-17-33-27(25)35-11-12-36(19(2)16-35)29(37)34-20(3)22-5-4-6-24(13-22)38-28(30)31;1-20-8-10-22(11-9-20)26-18-25-28(32-26)30-19-31-29(25)35-14-12-34(13-15-35)27(36)16-21(2)23-6-5-7-24(17-23)33(3)4;1-20-5-7-21(8-6-20)22-17-25-26(18-22)30-19-31-27(25)33-13-15-34(16-14-33)28(35)32-23-9-11-24(12-10-23)36-29(2,3)4;1-19-7-9-21(10-8-19)25-17-24-27(31-25)29-18-30-28(24)33-13-11-32(12-14-33)26(34)15-20(2)22-5-4-6-23(16-22)35-3/h4-10,13-14,17,19-20,28H,11-12,15-16H2,1-3H3,(H,34,37);5-11,17-19,21H,12-16H2,1-4H3,(H,30,31,32);5-12,17,19H,13-16,18H2,1-4H3,(H,32,35);4-10,16-18,20H,11-15H2,1-3H3,(H,29,30,31)/t19-,20+;21-;;20-/m11.1/s1/i;;;3D3
InChIKeyHJWJGLGCORCRRM-XAOVBIAQSA-N
XLogP20.50
TPSA283.89 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.45
LogP ≤ 520.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[6-[2-methyl-4-[(1-methylpiperidin-4-yl)amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 155549248
4-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-[3-[3-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]propoxy]phenyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 169277898
N-[3-[3-[3-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]propoxy]phenyl]phenyl]-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 169277915
N-[3-[3-[3-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]propoxy]phenyl]phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 169277918
cyclopropyl-[3-[[6-[3-[2-fluoro-4-[2-[3-[[6-[3-(2-fluorophenoxy)prop-1-ynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carbonyl]cyclopropyl]phenoxy]prop-1-ynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 123156958
4-[(8R)-4-amino-8-(but-2-ynoylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-5-yl]-N-[4-[(E)-3-[[(8R)-4-amino-5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]amino]-3-oxoprop-1-enyl]-2-pyridinyl]benzamide
CID 134551005
N-[5-[(E)-3-[[(8R)-4-amino-5-[4-[3-[4-[[(8R)-4-amino-5-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]amino]-4-oxobut-2-ynyl]-4-(trifluoromethyl)phenoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]amino]-3-oxoprop-1-enyl]-2-pyridinyl]-4-[(8R)-4-amino-8-(but-2-ynoylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-5-yl]benzamide
CID 134551064
N-[3-[6-[4-[[2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide
CID 156176336
N-[3-[6-[4-[[4-[2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide
CID 156176612
N-[3-[6-[4-[[4-[1-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylphenoxy]ethyl]piperidin-4-yl]oxypiperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide
CID 156177167
(3R)-N-[3-[6-[4-[[4-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]ethyl]piperazin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 156192120
1-[4-[2-[4-[[4-[4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 156192193

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one?
The IUPAC name of (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one (CID 158500848) is (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one.
What is the SMILES notation for (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one?
The canonical SMILES for (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one is Cc1ccc(-c2cc3c(N4CCN(C(=O)C[C@@H](C)c5cccc(N(C)C)c5)CC4)ncnc3[nH]2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4cccc(OC(F)F)c4)[C@H](C)C3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)Nc4ccc(OC(C)(C)C)cc4)CC3)C2)cc1.[2H]C([2H])([2H])Oc1cccc([C@H](C)CC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(C)cc5)cc34)CC2)c1.
What is the InChIKey of (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one?
The InChIKey is HJWJGLGCORCRRM-XAOVBIAQSA-N. The full InChI is InChI=1S/C29H31F2N5O2.C29H34N6O.C29H33N5O2.C28H31N5O2/c1-18-7-9-21(10-8-18)23-14-25-26(15-23)32-17-33-27(25)35-11-12-36(19(2)16-35)29(37)34-20(3)22-5-4-6-24(13-22)38-28(30)31;1-20-8-10-22(11-9-20)26-18-25-28(32-26)30-19-31-29(25)35-14-12-34(13-15-35)27(36)16-21(2)23-6-5-7-24(17-23)33(3)4;1-20-5-7-21(8-6-20)22-17-25-26(18-22)30-19-31-27(25)33-13-15-34(16-14-33)28(35)32-23-9-11-24(12-10-23)36-29(2,3)4;1-19-7-9-21(10-8-19)25-17-24-27(31-25)29-18-30-28(24)33-13-11-32(12-14-33)26(34)15-20(2)22-5-4-6-23(16-22)35-3/h4-10,13-14,17,19-20,28H,11-12,15-16H2,1-3H3,(H,34,37);5-11,17-19,21H,12-16H2,1-4H3,(H,30,31,32);5-12,17,19H,13-16,18H2,1-4H3,(H,32,35);4-10,16-18,20H,11-15H2,1-3H3,(H,29,30,31)/t19-,20+;21-;;20-/m11.1/s1/i;;;3D3.
What are the key properties of (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one?
(2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one has a molecular weight of 1958.45 g/mol, XLogP of 20.50, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxamide;(3R)-3-[3-(dimethylamino)phenyl]-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide;(3R)-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(trideuteriomethoxy)phenyl]butan-1-one is sourced from PubChem (CID 158500848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).