3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane

C57H57N11S — CID 145252229

About 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane

3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane (PubChem CID 145252229) has the molecular formula C57H57N11S and a molecular weight of 928.23 g/mol. Its IUPAC name is 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane.

Molecular Properties

• Compound Name: 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane
• PubChem CID: 145252229
• Molecular Formula: C57H57N11S
• Molecular Weight: 928.23 g/mol
• Exact Mass: 927.45
• IUPAC Name: 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane
• SMILES: C/C=C(\C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)cc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.CC(C)C
• InChI: InChI=1S/C29H26N6S.C24H21N5.C4H10/c1-17(2)10-18(3)32-22-11-21(14-30-15-22)19-4-5-26-23(12-19)29(35-34-26)27-13-24-25(33-27)6-8-31-28(24)20-7-9-36-16-20;1-4-14(2)23-18-12-22(27-20(18)8-10-26-23)24-17-11-16(5-6-21(17)28-29-24)19-13-25-9-7-15(19)3;1-4(2)3/h4-9,11-17,32-33H,3,10H2,1-2H3,(H,34,35);4-13,27H,1-3H3,(H,28,29);4H,1-3H3/b;14-4+
• InChIKey: WVOFHXKIDUZSLX-XOERRQORSA-N
• XLogP: 15.43
• TPSA: 152.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.23
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane?

The IUPAC name of 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane (CID 145252229) is 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane.

What is the SMILES notation for 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane?

The canonical SMILES for 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane is C/C=C(\C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)cc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.CC(C)C.

What is the InChIKey of 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane?

The InChIKey is WVOFHXKIDUZSLX-XOERRQORSA-N. The full InChI is InChI=1S/C29H26N6S.C24H21N5.C4H10/c1-17(2)10-18(3)32-22-11-21(14-30-15-22)19-4-5-26-23(12-19)29(35-34-26)27-13-24-25(33-27)6-8-31-28(24)20-7-9-36-16-20;1-4-14(2)23-18-12-22(27-20(18)8-10-26-23)24-17-11-16(5-6-21(17)28-29-24)19-13-25-9-7-15(19)3;1-4(2)3/h4-9,11-17,32-33H,3,10H2,1-2H3,(H,34,35);4-13,27H,1-3H3,(H,28,29);4H,1-3H3/b;14-4+;.

What are the key properties of 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane?

3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane has a molecular weight of 928.23 g/mol, XLogP of 15.43, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(E)-but-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-methylpropane is sourced from PubChem (CID 145252229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).