N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine

C104H147N23O — CID 158482428

About N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine

N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 158482428) has the molecular formula C104H147N23O and a molecular weight of 1735.48 g/mol. Its IUPAC name is N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 158482428
• Molecular Formula: C104H147N23O
• Molecular Weight: 1735.48 g/mol
• Exact Mass: 1734.22
• IUPAC Name: N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine
• SMILES: CC(C)(C)Nc1cnc2c(ccn2-c2cccnc2)c1.CC(C)(C)Nc1cnc2c(ccn2-c2ccncc2)c1.CC(C)N1CCC(n2ccc3cc(NC(C)(C)C)cnc32)CC1.CC(C)N1CCC(n2ncc3cc(NC(C)(C)C)ccc32)CC1.CN1CCC(n2ccc3cc(NC(C)(C)C)cnc32)CC1.CN1CCN(c2cc(NC(C)(C)C)cc3ccoc23)CC1
• InChI: InChI=1S/2C19H30N4.C17H26N4.C17H25N3O.2C16H18N4/c1-14(2)22-9-7-17(8-10-22)23-11-6-15-12-16(13-20-18(15)23)21-19(3,4)5;1-14(2)22-10-8-17(9-11-22)23-18-7-6-16(21-19(3,4)5)12-15(18)13-20-23;1-17(2,3)19-14-11-13-5-10-21(16(13)18-12-14)15-6-8-20(4)9-7-15;1-17(2,3)18-14-11-13-5-10-21-16(13)15(12-14)20-8-6-19(4)7-9-20;1-16(2,3)19-13-10-12-6-9-20(15(12)18-11-13)14-4-7-17-8-5-14;1-16(2,3)19-13-9-12-6-8-20(15(12)18-10-13)14-5-4-7-17-11-14/h6,11-14,17,21H,7-10H2,1-5H3;6-7,12-14,17,21H,8-11H2,1-5H3;5,10-12,15,19H,6-9H2,1-4H3;5,10-12,18H,6-9H2,1-4H3;2*4-11,19H,1-3H3
• InChIKey: HHRHNLBWFXLGJY-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 216.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.48
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine (CID 158482428) is N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine is CC(C)(C)Nc1cnc2c(ccn2-c2cccnc2)c1.CC(C)(C)Nc1cnc2c(ccn2-c2ccncc2)c1.CC(C)N1CCC(n2ccc3cc(NC(C)(C)C)cnc32)CC1.CC(C)N1CCC(n2ncc3cc(NC(C)(C)C)ccc32)CC1.CN1CCC(n2ccc3cc(NC(C)(C)C)cnc32)CC1.CN1CCN(c2cc(NC(C)(C)C)cc3ccoc23)CC1.

What is the InChIKey of N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is HHRHNLBWFXLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H30N4.C17H26N4.C17H25N3O.2C16H18N4/c1-14(2)22-9-7-17(8-10-22)23-11-6-15-12-16(13-20-18(15)23)21-19(3,4)5;1-14(2)22-10-8-17(9-11-22)23-18-7-6-16(21-19(3,4)5)12-15(18)13-20-23;1-17(2,3)19-14-11-13-5-10-21(16(13)18-12-14)15-6-8-20(4)9-7-15;1-17(2,3)18-14-11-13-5-10-21-16(13)15(12-14)20-8-6-19(4)7-9-20;1-16(2,3)19-13-10-12-6-9-20(15(12)18-11-13)14-4-7-17-8-5-14;1-16(2,3)19-13-9-12-6-8-20(15(12)18-10-13)14-5-4-7-17-11-14/h6,11-14,17,21H,7-10H2,1-5H3;6-7,12-14,17,21H,8-11H2,1-5H3;5,10-12,15,19H,6-9H2,1-4H3;5,10-12,18H,6-9H2,1-4H3;2*4-11,19H,1-3H3.

What are the key properties of N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine?

N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 1735.48 g/mol, XLogP of 22.75, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-7-(4-methylpiperazin-1-yl)-1-benzofuran-5-amine;N-tert-butyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine;N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-amine;N-tert-butyl-1-pyridin-4-ylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 158482428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).