2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one

C76H69BrN18O6 — CID 160874181

IUPAC2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one
SMILESCC(C)Br.CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3cccnc3)c(O)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C26H24N6O2.C24H20N6O2.C23H18N6O2.C3H7Br/c1-16(2)34-23-11-18-14-31(26(33)21(18)12-20(23)17-5-4-10-27-13-17)24-7-3-6-22(29-24)25-30-28-15-32(25)19-8-9-19;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;30-20-9-15-12-28(23(31)18(15)10-17(20)14-3-2-8-24-11-14)21-5-1-4-19(26-21)22-27-25-13-29(22)16-6-7-16;1-3(2)4/h3-7,10-13,15-16,19H,8-9,14H2,1-2H3;2-6,9-12,14,17H,7-8,13H2,1H3;1-5,8-11,13,16,30H,6-7,12H2;3H,1-2H3
InChIKeySMDVRDNOSHYZGI-UHFFFAOYSA-N
MW1410.41 g/mol
LogP13.98
Rot. Bonds15

About 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one

2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 160874181) has the molecular formula C76H69BrN18O6 and a molecular weight of 1410.41 g/mol. Its IUPAC name is 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one
PubChem CID160874181
Molecular FormulaC76H69BrN18O6
Molecular Weight1410.41 g/mol
Exact Mass1408.48
IUPAC Name2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one
SMILESCC(C)Br.CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3cccnc3)c(O)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C26H24N6O2.C24H20N6O2.C23H18N6O2.C3H7Br/c1-16(2)34-23-11-18-14-31(26(33)21(18)12-20(23)17-5-4-10-27-13-17)24-7-3-6-22(29-24)25-30-28-15-32(25)19-8-9-19;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;30-20-9-15-12-28(23(31)18(15)10-17(20)14-3-2-8-24-11-14)21-5-1-4-19(26-21)22-27-25-13-29(22)16-6-7-16;1-3(2)4/h3-7,10-13,15-16,19H,8-9,14H2,1-2H3;2-6,9-12,14,17H,7-8,13H2,1H3;1-5,8-11,13,16,30H,6-7,12H2;3H,1-2H3
InChIKeySMDVRDNOSHYZGI-UHFFFAOYSA-N
XLogP13.98
TPSA269.09 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.41
LogP ≤ 513.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-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

5-cyclopentyloxy-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one
CID 135351041
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one
CID 135351065
Preparation of 2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-5-methoxy-6-(pyridin-3-yl)isoindolin-1-one
CID 135351101
(2,6-difluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,3-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-fluoro-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 161709979
5-cyclopentyloxy-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(dimethylamino)-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate
CID 157507689
CID 157923595
CID 157923595
(6-Cyclopropyl-3-pyridinyl)boronic acid;15-(6-cyclopropyl-3-pyridinyl)-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-hydroxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;tribromoborane
CID 158065118
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylic acid;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methane;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;pyrrolidine
CID 158274417
6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(6-methoxy-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(6-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 158536950
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide
CID 159027319
(2-methoxy-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(methoxymethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159088293
3,3-Dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one
CID 159194788

Frequently Asked Questions

What is the IUPAC name of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one (CID 160874181) is 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one is CC(C)Br.CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3cccnc3)c(O)cc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is SMDVRDNOSHYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2.C24H20N6O2.C23H18N6O2.C3H7Br/c1-16(2)34-23-11-18-14-31(26(33)21(18)12-20(23)17-5-4-10-27-13-17)24-7-3-6-22(29-24)25-30-28-15-32(25)19-8-9-19;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;30-20-9-15-12-28(23(31)18(15)10-17(20)14-3-2-8-24-11-14)21-5-1-4-19(26-21)22-27-25-13-29(22)16-6-7-16;1-3(2)4/h3-7,10-13,15-16,19H,8-9,14H2,1-2H3;2-6,9-12,14,17H,7-8,13H2,1H3;1-5,8-11,13,16,30H,6-7,12H2;3H,1-2H3.
What are the key properties of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one?
2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 1410.41 g/mol, XLogP of 13.98, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 160874181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).