2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline

C184H229ClN24O2 — CID 160798984

IUPAC2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
SMILESCC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(C(C)(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C.Cc1c(C(C)C)oc2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1
InChIInChI=1S/C17H21N3.C15H16.C13H17N3.C13H17NO.C12H14ClN.C12H16N2.C12H14N2.2C12H15N.C12H13N.C12H14O.C11H13N3.C11H14N2.C10H12N2.C10H18N2/c1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;6-9H,4-5H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;3-10H,1-2H3;2*4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3
InChIKeySCURUFXCHGVTAE-UHFFFAOYSA-N
MW2844.47 g/mol
LogP48.95
Rot. Bonds20

About 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline

2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline (PubChem CID 160798984) has the molecular formula C184H229ClN24O2 and a molecular weight of 2844.47 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
PubChem CID160798984
Molecular FormulaC184H229ClN24O2
Molecular Weight2844.47 g/mol
Exact Mass2841.82
IUPAC Name2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
SMILESCC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(C(C)(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C.Cc1c(C(C)C)oc2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1
InChIInChI=1S/C17H21N3.C15H16.C13H17N3.C13H17NO.C12H14ClN.C12H16N2.C12H14N2.2C12H15N.C12H13N.C12H14O.C11H13N3.C11H14N2.C10H12N2.C10H18N2/c1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;6-9H,4-5H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;3-10H,1-2H3;2*4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3
InChIKeySCURUFXCHGVTAE-UHFFFAOYSA-N
XLogP48.95
TPSA239.11 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002844.47
LogP ≤ 548.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The IUPAC name of 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline (CID 160798984) is 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline.
What is the SMILES notation for 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The canonical SMILES for 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline is CC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(C(C)(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C.Cc1c(C(C)C)oc2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.
What is the InChIKey of 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The InChIKey is SCURUFXCHGVTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.C15H16.C13H17N3.C13H17NO.C12H14ClN.C12H16N2.C12H14N2.2C12H15N.C12H13N.C12H14O.C11H13N3.C11H14N2.C10H12N2.C10H18N2/c1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;6-9H,4-5H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;3-10H,1-2H3;2*4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3.
What are the key properties of 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline has a molecular weight of 2844.47 g/mol, XLogP of 48.95, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;5-methoxy-1-methyl-2-propan-2-ylindole;3-methyl-2-propan-2-yl-1-benzofuran;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline is sourced from PubChem (CID 160798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).