4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

C125H124Cl6N28O13S — CID 159120101

IUPAC4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)NNc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.CC(C)Sc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2cc(OC3CCCCC3)ncn2)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Cc3ccccc3)ncn2)c[nH]1
InChIInChI=1S/C24H21ClN4O2.C23H25ClN4O3.C20H23ClN6O2.C20H21ClN4O2S.C19H18ClN5O2.C19H16ClN5O2/c25-19-8-6-17(7-9-19)23(14-30)29-24(31)22-11-18(13-26-22)21-12-20(27-15-28-21)10-16-4-2-1-3-5-16;24-17-6-4-5-15(9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-7-2-1-3-8-18;1-12(2)26-27-19-8-16(23-11-24-19)14-7-17(22-9-14)20(29)25-18(10-28)13-4-3-5-15(21)6-13;1-12(2)28-19-8-16(23-11-24-19)14-7-17(22-9-14)20(27)25-18(10-26)13-4-3-5-15(21)6-13;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17/h1-9,11-13,15,23,26,30H,10,14H2,(H,29,31);4-6,9-12,14,18,21,25,29H,1-3,7-8,13H2,(H,28,30);3-9,11-12,18,22,26,28H,10H2,1-2H3,(H,25,29)(H,23,24,27);3-9,11-12,18,22,26H,10H2,1-2H3,(H,25,27);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24)/t23-;;;;;/m1...../s1
InChIKeyKFOXZONHJHOPNM-LRBLJGQSSA-N
MW2471.33 g/mol
LogP21.11
Rot. Bonds39

About 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 159120101) has the molecular formula C125H124Cl6N28O13S and a molecular weight of 2471.33 g/mol. Its IUPAC name is 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID159120101
Molecular FormulaC125H124Cl6N28O13S
Molecular Weight2471.33 g/mol
Exact Mass2466.78
IUPAC Name4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)NNc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.CC(C)Sc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2cc(OC3CCCCC3)ncn2)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Cc3ccccc3)ncn2)c[nH]1
InChIInChI=1S/C24H21ClN4O2.C23H25ClN4O3.C20H23ClN6O2.C20H21ClN4O2S.C19H18ClN5O2.C19H16ClN5O2/c25-19-8-6-17(7-9-19)23(14-30)29-24(31)22-11-18(13-26-22)21-12-20(27-15-28-21)10-16-4-2-1-3-5-16;24-17-6-4-5-15(9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-7-2-1-3-8-18;1-12(2)26-27-19-8-16(23-11-24-19)14-7-17(22-9-14)20(29)25-18(10-28)13-4-3-5-15(21)6-13;1-12(2)28-19-8-16(23-11-24-19)14-7-17(22-9-14)20(27)25-18(10-26)13-4-3-5-15(21)6-13;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17/h1-9,11-13,15,23,26,30H,10,14H2,(H,29,31);4-6,9-12,14,18,21,25,29H,1-3,7-8,13H2,(H,28,30);3-9,11-12,18,22,26,28H,10H2,1-2H3,(H,25,29)(H,23,24,27);3-9,11-12,18,22,26H,10H2,1-2H3,(H,25,27);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24)/t23-;;;;;/m1...../s1
InChIKeyKFOXZONHJHOPNM-LRBLJGQSSA-N
XLogP21.11
TPSA606.51 Ų
H-Bond Donors22
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002471.33
LogP ≤ 521.11
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide 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

4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 161478815

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (CID 159120101) is 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is CC(C)NNc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.CC(C)Sc1cc(-c2c[nH]c(C(=O)NC(CO)c3cccc(Cl)c3)c2)ncn1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2cc(OC3CCCCC3)ncn2)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Cc3ccccc3)ncn2)c[nH]1.
What is the InChIKey of 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is KFOXZONHJHOPNM-LRBLJGQSSA-N. The full InChI is InChI=1S/C24H21ClN4O2.C23H25ClN4O3.C20H23ClN6O2.C20H21ClN4O2S.C19H18ClN5O2.C19H16ClN5O2/c25-19-8-6-17(7-9-19)23(14-30)29-24(31)22-11-18(13-26-22)21-12-20(27-15-28-21)10-16-4-2-1-3-5-16;24-17-6-4-5-15(9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-7-2-1-3-8-18;1-12(2)26-27-19-8-16(23-11-24-19)14-7-17(22-9-14)20(29)25-18(10-28)13-4-3-5-15(21)6-13;1-12(2)28-19-8-16(23-11-24-19)14-7-17(22-9-14)20(27)25-18(10-26)13-4-3-5-15(21)6-13;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17/h1-9,11-13,15,23,26,30H,10,14H2,(H,29,31);4-6,9-12,14,18,21,25,29H,1-3,7-8,13H2,(H,28,30);3-9,11-12,18,22,26,28H,10H2,1-2H3,(H,25,29)(H,23,24,27);3-9,11-12,18,22,26H,10H2,1-2H3,(H,25,27);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24)/t23-;;;;;/m1...../s1.
What are the key properties of 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 2471.33 g/mol, XLogP of 21.11, 39 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 159120101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).