(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide

C106H116N16O15 — CID 157283814

IUPAC(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide
SMILESCC(C)Cn1ccc2cc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)ccc21.CC(C)Cn1ncc2cc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)ccc21.Cc1ccc(Cn2ccc3cc(-c4cccc([C@H](O)[C@@H](O)C(N)=O)n4)ccc32)cc1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CC3)c2)n1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1
InChIInChI=1S/C24H23N3O3.C23H27N3O3.C20H21N3O3.C20H23N3O3.C19H22N4O3/c1-15-5-7-16(8-6-15)14-27-12-11-18-13-17(9-10-21(18)27)19-3-2-4-20(26-19)22(28)23(29)24(25)30;24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15;21-20(26)19(25)18(24)16-3-1-2-15(22-16)13-6-7-17-14(10-13)8-9-23(17)11-12-4-5-12;1-12(2)11-23-9-8-14-10-13(6-7-17(14)23)15-4-3-5-16(22-15)18(24)19(25)20(21)26;1-11(2)10-23-16-7-6-12(8-13(16)9-21-23)14-4-3-5-15(22-14)17(24)18(25)19(20)26/h2-13,22-23,28-29H,14H2,1H3,(H2,25,30);4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29);1-3,6-10,12,18-19,24-25H,4-5,11H2,(H2,21,26);3-10,12,18-19,24-25H,11H2,1-2H3,(H2,21,26);3-9,11,17-18,24-25H,10H2,1-2H3,(H2,20,26)/t22-,23+;21-,22+;2*18-,19+;17-,18+/m00010/s1
InChIKeyAZZJFHNIDHPXHV-IPYHSONQSA-N
MW1854.19 g/mol
LogP11.97
Rot. Bonds30

About (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide

(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide (PubChem CID 157283814) has the molecular formula C106H116N16O15 and a molecular weight of 1854.19 g/mol. Its IUPAC name is (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide
PubChem CID157283814
Molecular FormulaC106H116N16O15
Molecular Weight1854.19 g/mol
Exact Mass1852.88
IUPAC Name(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide
SMILESCC(C)Cn1ccc2cc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)ccc21.CC(C)Cn1ncc2cc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)ccc21.Cc1ccc(Cn2ccc3cc(-c4cccc([C@H](O)[C@@H](O)C(N)=O)n4)ccc32)cc1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CC3)c2)n1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1
InChIInChI=1S/C24H23N3O3.C23H27N3O3.C20H21N3O3.C20H23N3O3.C19H22N4O3/c1-15-5-7-16(8-6-15)14-27-12-11-18-13-17(9-10-21(18)27)19-3-2-4-20(26-19)22(28)23(29)24(25)30;24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15;21-20(26)19(25)18(24)16-3-1-2-15(22-16)13-6-7-17-14(10-13)8-9-23(17)11-12-4-5-12;1-12(2)11-23-9-8-14-10-13(6-7-17(14)23)15-4-3-5-16(22-15)18(24)19(25)20(21)26;1-11(2)10-23-16-7-6-12(8-13(16)9-21-23)14-4-3-5-15(22-14)17(24)18(25)19(20)26/h2-13,22-23,28-29H,14H2,1H3,(H2,25,30);4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29);1-3,6-10,12,18-19,24-25H,4-5,11H2,(H2,21,26);3-10,12,18-19,24-25H,11H2,1-2H3,(H2,21,26);3-9,11,17-18,24-25H,10H2,1-2H3,(H2,20,26)/t22-,23+;21-,22+;2*18-,19+;17-,18+/m00010/s1
InChIKeyAZZJFHNIDHPXHV-IPYHSONQSA-N
XLogP11.97
TPSA519.74 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.19
LogP ≤ 511.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide with MolForge

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Related Compounds

carbon dioxide;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158117397
6-[2-(cyclopropylmethyl)-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2,3-dihydroindol-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N-ethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(2-hydroxyethyl)-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 159857580

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide?
The IUPAC name of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide (CID 157283814) is (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide?
The canonical SMILES for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide is CC(C)Cn1ccc2cc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)ccc21.CC(C)Cn1ncc2cc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)ccc21.Cc1ccc(Cn2ccc3cc(-c4cccc([C@H](O)[C@@H](O)C(N)=O)n4)ccc32)cc1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CC3)c2)n1.NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1.
What is the InChIKey of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide?
The InChIKey is AZZJFHNIDHPXHV-IPYHSONQSA-N. The full InChI is InChI=1S/C24H23N3O3.C23H27N3O3.C20H21N3O3.C20H23N3O3.C19H22N4O3/c1-15-5-7-16(8-6-15)14-27-12-11-18-13-17(9-10-21(18)27)19-3-2-4-20(26-19)22(28)23(29)24(25)30;24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15;21-20(26)19(25)18(24)16-3-1-2-15(22-16)13-6-7-17-14(10-13)8-9-23(17)11-12-4-5-12;1-12(2)11-23-9-8-14-10-13(6-7-17(14)23)15-4-3-5-16(22-15)18(24)19(25)20(21)26;1-11(2)10-23-16-7-6-12(8-13(16)9-21-23)14-4-3-5-15(22-14)17(24)18(25)19(20)26/h2-13,22-23,28-29H,14H2,1H3,(H2,25,30);4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29);1-3,6-10,12,18-19,24-25H,4-5,11H2,(H2,21,26);3-10,12,18-19,24-25H,11H2,1-2H3,(H2,21,26);3-9,11,17-18,24-25H,10H2,1-2H3,(H2,20,26)/t22-,23+;21-,22+;2*18-,19+;17-,18+/m00010/s1.
What are the key properties of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide?
(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide has a molecular weight of 1854.19 g/mol, XLogP of 11.97, 30 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-3-[6-[1-(cyclopropylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]propanamide;(2R,3S)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indazol-5-yl]-2-pyridinyl]propanamide;(2S,3R)-2,3-dihydroxy-3-[6-[1-(2-methylpropyl)indol-5-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 157283814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).