5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C103H99ClN26O8 — CID 159427189

IUPAC5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCC4=CCc5ccccc54)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCc4ccc(Cl)cc4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4cccc(C#N)c4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4ccccc4C#N)c3)c2)=C1N
InChIInChI=1S/C28H28N6O2.C25H25ClN6O2.2C25H23N7O2/c1-17(31-27(35)26-25(29)18(2)32-28(36)33-26)21-7-5-8-22(14-21)23-15-30-34(16-23)13-12-20-11-10-19-6-3-4-9-24(19)20;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)18-4-3-5-19(12-18)20-13-28-32(14-20)11-10-17-6-8-21(26)9-7-17;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)19-7-4-8-20(10-19)21-12-28-32(14-21)13-18-6-3-5-17(9-18)11-26;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)17-8-5-9-18(10-17)21-12-28-32(14-21)13-20-7-4-3-6-19(20)11-26/h3-9,11,14-17H,2,10,12-13,29H2,1H3,(H,31,35)(H2,32,33,36);3-9,12-15H,2,10-11,27H2,1H3,(H,29,33)(H2,30,31,34);2*3-10,12,14-15H,2,13,27H2,1H3,(H,29,33)(H2,30,31,34)/t17-;3*15-/m1111/s1
InChIKeyLQMZMKSVHBNRQQ-GLRVMSEJSA-N
MW1864.55 g/mol
LogP12.66
Rot. Bonds26

About 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 159427189) has the molecular formula C103H99ClN26O8 and a molecular weight of 1864.55 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID159427189
Molecular FormulaC103H99ClN26O8
Molecular Weight1864.55 g/mol
Exact Mass1862.78
IUPAC Name5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCC4=CCc5ccccc54)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCc4ccc(Cl)cc4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4cccc(C#N)c4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4ccccc4C#N)c3)c2)=C1N
InChIInChI=1S/C28H28N6O2.C25H25ClN6O2.2C25H23N7O2/c1-17(31-27(35)26-25(29)18(2)32-28(36)33-26)21-7-5-8-22(14-21)23-15-30-34(16-23)13-12-20-11-10-19-6-3-4-9-24(19)20;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)18-4-3-5-19(12-18)20-13-28-32(14-20)11-10-17-6-8-21(26)9-7-17;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)19-7-4-8-20(10-19)21-12-28-32(14-21)13-18-6-3-5-17(9-18)11-26;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)17-8-5-9-18(10-17)21-12-28-32(14-21)13-20-7-4-3-6-19(20)11-26/h3-9,11,14-17H,2,10,12-13,29H2,1H3,(H,31,35)(H2,32,33,36);3-9,12-15H,2,10-11,27H2,1H3,(H,29,33)(H2,30,31,34);2*3-10,12,14-15H,2,13,27H2,1H3,(H,29,33)(H2,30,31,34)/t17-;3*15-/m1111/s1
InChIKeyLQMZMKSVHBNRQQ-GLRVMSEJSA-N
XLogP12.66
TPSA503.86 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.55
LogP ≤ 512.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Analyze 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486038
5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580375
3-[[4-[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 162127179
5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580372
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888
5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
CID 121486001
3-[2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]ethyl]benzonitrile
CID 118481142
1-benzyl-N-[1-[4-(3-cyanophenyl)phenyl]ethyl]-2-methylpyrrole-3-carboxamide
CID 167853420
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
[1-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 3845813
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967993
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 159427189) is 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCC4=CCc5ccccc54)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(CCc4ccc(Cl)cc4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4cccc(C#N)c4)c3)c2)=C1N.C=C1NC(=O)NC(C(=O)N[C@H](C)c2cccc(-c3cnn(Cc4ccccc4C#N)c3)c2)=C1N.
What is the InChIKey of 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is LQMZMKSVHBNRQQ-GLRVMSEJSA-N. The full InChI is InChI=1S/C28H28N6O2.C25H25ClN6O2.2C25H23N7O2/c1-17(31-27(35)26-25(29)18(2)32-28(36)33-26)21-7-5-8-22(14-21)23-15-30-34(16-23)13-12-20-11-10-19-6-3-4-9-24(19)20;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)18-4-3-5-19(12-18)20-13-28-32(14-20)11-10-17-6-8-21(26)9-7-17;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)19-7-4-8-20(10-19)21-12-28-32(14-21)13-18-6-3-5-17(9-18)11-26;1-15(29-24(33)23-22(27)16(2)30-25(34)31-23)17-8-5-9-18(10-17)21-12-28-32(14-21)13-20-7-4-3-6-19(20)11-26/h3-9,11,14-17H,2,10,12-13,29H2,1H3,(H,31,35)(H2,32,33,36);3-9,12-15H,2,10-11,27H2,1H3,(H,29,33)(H2,30,31,34);2*3-10,12,14-15H,2,13,27H2,1H3,(H,29,33)(H2,30,31,34)/t17-;3*15-/m1111/s1.
What are the key properties of 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 1864.55 g/mol, XLogP of 12.66, 26 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-[3-[1-[2-(4-chlorophenyl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;5-amino-N-[(1R)-1-[3-[1-[2-(3H-inden-1-yl)ethyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 159427189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).