1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine

C157H178N22O6S5 — CID 157455072

IUPAC1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2cc(C(N)=O)ccc2n1C.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/2C13H16N2O.2C13H14N2.2C12H14N2O.C12H14N2S.C12H12N2.C12H13NO.2C12H13NS.C11H13NOS.C10H12N2S/c1-8(2)12-7-10-6-9(13(14)16)4-5-11(10)15(12)3;1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h2*4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12)
InChIKeyBTGIMWPIHNMDRM-UHFFFAOYSA-N
MW2629.63 g/mol
LogP40.22
Rot. Bonds22

About 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine

1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine (PubChem CID 157455072) has the molecular formula C157H178N22O6S5 and a molecular weight of 2629.63 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
PubChem CID157455072
Molecular FormulaC157H178N22O6S5
Molecular Weight2629.63 g/mol
Exact Mass2627.29
IUPAC Name1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2cc(C(N)=O)ccc2n1C.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/2C13H16N2O.2C13H14N2.2C12H14N2O.C12H14N2S.C12H12N2.C12H13NO.2C12H13NS.C11H13NOS.C10H12N2S/c1-8(2)12-7-10-6-9(13(14)16)4-5-11(10)15(12)3;1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h2*4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12)
InChIKeyBTGIMWPIHNMDRM-UHFFFAOYSA-N
XLogP40.22
TPSA463.08 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002629.63
LogP ≤ 540.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The IUPAC name of 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine (CID 157455072) is 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The canonical SMILES for 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine is CC(C)c1cc2cc(C#N)ccc2[nH]1.CC(C)c1cc2cc(C#N)ccc2n1C.CC(C)c1cc2cc(C(N)=O)ccc2[nH]1.CC(C)c1cc2cc(C(N)=O)ccc2n1C.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1cc2ccc(C(N)=O)cc2n1C.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(-c2cn[nH]c2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.Cc1ncc(-c2ccc(C(C)C)s2)o1.
What is the InChIKey of 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The InChIKey is BTGIMWPIHNMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2O.2C13H14N2.2C12H14N2O.C12H14N2S.C12H12N2.C12H13NO.2C12H13NS.C11H13NOS.C10H12N2S/c1-8(2)12-7-10-6-9(13(14)16)4-5-11(10)15(12)3;1-8(2)11-6-9-4-5-10(13(14)16)7-12(9)15(11)3;1-9(2)13-7-11-6-10(8-14)4-5-12(11)15(13)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-7(2)11-6-9-5-8(12(13)15)3-4-10(9)14-11;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-3-4-10(13-9)8-5-11-12-6-8/h2*4-8H,1-3H3,(H2,14,16);2*4-7,9H,1-3H3;2*3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine has a molecular weight of 2629.63 g/mol, XLogP of 40.22, 22 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylindole-5-carbonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-methyl-2-propan-2-ylindole-5-carboxamide;1-methyl-2-propan-2-ylindole-6-carboxamide;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;2-propan-2-yl-1H-indole-5-carbonitrile;2-propan-2-yl-1H-indole-5-carboxamide;2-propan-2-yl-1H-indole-6-carboxamide;6-propan-2-yl-1H-quinolin-2-one;4-(5-propan-2-ylthiophen-2-yl)-1H-pyrazole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 157455072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).