3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C99H131N25S — CID 158378895

IUPAC3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cc2c(cn1)C=CCC2.CC(C)c1cc2ncccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1nccc2ccsc12.CC(C)c1ncn[nH]1.CC(C)c1ncnc2c1C=NC2
InChIInChI=1S/C12H15N.C12H13N.C10H11NS.3C9H11N3.C8H11N.2C7H10N2.C6H10N2.2C5H9N3/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8)
InChIKeyGVNSZJMSKUKPQX-UHFFFAOYSA-N
MW1703.38 g/mol
LogP23.97
Rot. Bonds12

About 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158378895) has the molecular formula C99H131N25S and a molecular weight of 1703.38 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158378895
Molecular FormulaC99H131N25S
Molecular Weight1703.38 g/mol
Exact Mass1702.07
IUPAC Name3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cc2c(cn1)C=CCC2.CC(C)c1cc2ncccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1nccc2ccsc12.CC(C)c1ncn[nH]1.CC(C)c1ncnc2c1C=NC2
InChIInChI=1S/C12H15N.C12H13N.C10H11NS.3C9H11N3.C8H11N.2C7H10N2.C6H10N2.2C5H9N3/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8)
InChIKeyGVNSZJMSKUKPQX-UHFFFAOYSA-N
XLogP23.97
TPSA313.46 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.38
LogP ≤ 523.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907
N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136213912
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
N,N-dimethyl-1-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214370
5-pyridin-3-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214375
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019247
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137055261
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110894
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137143000

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158378895) is 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1cc2c(cn1)C=CCC2.CC(C)c1cc2ncccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1nccc2ccsc12.CC(C)c1ncn[nH]1.CC(C)c1ncnc2c1C=NC2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is GVNSZJMSKUKPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H13N.C10H11NS.3C9H11N3.C8H11N.2C7H10N2.C6H10N2.2C5H9N3/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8).
What are the key properties of 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1703.38 g/mol, XLogP of 23.97, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydroisoquinoline;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;2-propan-2-ylquinoline;7-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158378895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).