(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide

C76H77ClF2N18O4 — CID 158308159

IUPAC(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(Cl)cc1.C[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(OC(C)(F)F)cc1.Cc1ccc(CNC(=O)N2CCN(c3ncnc4c3C=C(c3ccncc3)C4)C[C@H]2C)cc1
InChIInChI=1S/C26H26F2N6O2.C26H28N6O.C24H23ClN6O/c1-17-15-33(24-22-13-19(14-23(22)30-16-31-24)18-7-9-29-10-8-18)11-12-34(17)25(35)32-20-3-5-21(6-4-20)36-26(2,27)28;1-18-3-5-20(6-4-18)15-28-26(33)32-12-11-31(16-19(32)2)25-23-13-22(14-24(23)29-17-30-25)21-7-9-27-10-8-21;1-16-14-30(10-11-31(16)24(32)29-20-4-2-19(25)3-5-20)23-21-12-18(13-22(21)27-15-28-23)17-6-8-26-9-7-17/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,32,35);3-10,13,17,19H,11-12,14-16H2,1-2H3,(H,28,33);2-9,12,15-16H,10-11,13-14H2,1H3,(H,29,32)/t17-;19-;16-/m111/s1
InChIKeyGNIRLJPHIVSZHO-YZJKSFCESA-N
MW1380.02 g/mol
LogP12.76
Rot. Bonds12

About (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide

(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 158308159) has the molecular formula C76H77ClF2N18O4 and a molecular weight of 1380.02 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID158308159
Molecular FormulaC76H77ClF2N18O4
Molecular Weight1380.02 g/mol
Exact Mass1378.60
IUPAC Name(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(Cl)cc1.C[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(OC(C)(F)F)cc1.Cc1ccc(CNC(=O)N2CCN(c3ncnc4c3C=C(c3ccncc3)C4)C[C@H]2C)cc1
InChIInChI=1S/C26H26F2N6O2.C26H28N6O.C24H23ClN6O/c1-17-15-33(24-22-13-19(14-23(22)30-16-31-24)18-7-9-29-10-8-18)11-12-34(17)25(35)32-20-3-5-21(6-4-20)36-26(2,27)28;1-18-3-5-20(6-4-18)15-28-26(33)32-12-11-31(16-19(32)2)25-23-13-22(14-24(23)29-17-30-25)21-7-9-27-10-8-21;1-16-14-30(10-11-31(16)24(32)29-20-4-2-19(25)3-5-20)23-21-12-18(13-22(21)27-15-28-23)17-6-8-26-9-7-17/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,32,35);3-10,13,17,19H,11-12,14-16H2,1-2H3,(H,28,33);2-9,12,15-16H,10-11,13-14H2,1H3,(H,29,32)/t17-;19-;16-/m111/s1
InChIKeyGNIRLJPHIVSZHO-YZJKSFCESA-N
XLogP12.76
TPSA231.98 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.02
LogP ≤ 512.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

tert-butyl (3S)-3-[[4-[2-[4-(benzhydrylideneamino)-3-chloro-2-fluorophenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 146528254
1-[4-[3-[2-[[(5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxyphenyl]-3-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methyl]urea
CID 146528282
(2S)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 147899072
(2R)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 147899073
tert-butyl 2-[6-(4-aminophenoxy)pyrimidin-4-yl]pyrrole-1-carboxylate;tert-butyl 2-(6-chloropyrimidin-4-yl)pyrrole-1-carboxylate;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(1H-pyrrol-2-yl)pyrimidin-4-yl]oxyphenyl]urea;4-[6-(1H-pyrrol-2-yl)pyrimidin-4-yl]oxyaniline
CID 157100125
(2S)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2S)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2S)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 157170639
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-iodo-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 157585815
4-Chloro-2-imidazol-1-yl-6-methylpyrimidine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)oxyphenyl]urea;4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)oxyaniline
CID 157586351
1-(4-Chloro-3-methylphenyl)-3-[4-(hydroxyamino)pyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-(methoxyamino)-6-methylpyrimidin-2-yl]urea
CID 158496561
1-(4-Chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]urea;1-[4-(1,1-difluoroethoxy)phenyl]-3-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]urea;methane
CID 158607481
1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 158952067
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
CID 159764390

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide (CID 158308159) is (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide is C[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(Cl)cc1.C[C@@H]1CN(c2ncnc3c2C=C(c2ccncc2)C3)CCN1C(=O)Nc1ccc(OC(C)(F)F)cc1.Cc1ccc(CNC(=O)N2CCN(c3ncnc4c3C=C(c3ccncc3)C4)C[C@H]2C)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is GNIRLJPHIVSZHO-YZJKSFCESA-N. The full InChI is InChI=1S/C26H26F2N6O2.C26H28N6O.C24H23ClN6O/c1-17-15-33(24-22-13-19(14-23(22)30-16-31-24)18-7-9-29-10-8-18)11-12-34(17)25(35)32-20-3-5-21(6-4-20)36-26(2,27)28;1-18-3-5-20(6-4-18)15-28-26(33)32-12-11-31(16-19(32)2)25-23-13-22(14-24(23)29-17-30-25)21-7-9-27-10-8-21;1-16-14-30(10-11-31(16)24(32)29-20-4-2-19(25)3-5-20)23-21-12-18(13-22(21)27-15-28-23)17-6-8-26-9-7-17/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,32,35);3-10,13,17,19H,11-12,14-16H2,1-2H3,(H,28,33);2-9,12,15-16H,10-11,13-14H2,1H3,(H,29,32)/t17-;19-;16-/m111/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide?
(2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 1380.02 g/mol, XLogP of 12.76, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-N-[4-(1,1-difluoroethoxy)phenyl]-2-methyl-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide;(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 158308159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).