ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C78H95N15 — CID 159381763

About ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159381763) has the molecular formula C78H95N15 and a molecular weight of 1242.72 g/mol. Its IUPAC name is ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159381763
• Molecular Formula: C78H95N15
• Molecular Weight: 1242.72 g/mol
• Exact Mass: 1241.79
• IUPAC Name: ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C1=C(CCNc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.C1=CC2=C(C1)CCC(Nc1cc(-c3cccnc3)nc3ccnn13)C2.CC.CC.CC.CC.CC.CC.c1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1
• InChI: InChI=1S/C24H21N5.C22H19N5.C20H19N5.6C2H6/c1-2-6-20-16(4-1)12-17-7-8-19(13-21(17)20)27-24-14-22(18-5-3-10-25-15-18)28-23-9-11-26-29(23)24;1-2-6-19-16(4-1)7-8-17(19)9-12-24-22-14-20(18-5-3-11-23-15-18)26-21-10-13-25-27(21)22;1-3-14-6-7-17(11-15(14)4-1)23-20-12-18(16-5-2-9-21-13-16)24-19-8-10-22-25(19)20;6*1-2/h1-6,9-11,14-15,19,27H,7-8,12-13H2;1-6,8,10-11,13-15,24H,7,9,12H2;1-2,4-5,8-10,12-13,17,23H,3,6-7,11H2;6*1-2H3
• InChIKey: LKZQBHHNUUWXBF-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 165.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.72
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159381763) is ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is C1=C(CCNc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.C1=CC2=C(C1)CCC(Nc1cc(-c3cccnc3)nc3ccnn13)C2.CC.CC.CC.CC.CC.CC.c1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1.

What is the InChIKey of ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LKZQBHHNUUWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5.C22H19N5.C20H19N5.6C2H6/c1-2-6-20-16(4-1)12-17-7-8-19(13-21(17)20)27-24-14-22(18-5-3-10-25-15-18)28-23-9-11-26-29(23)24;1-2-6-19-16(4-1)7-8-17(19)9-12-24-22-14-20(18-5-3-11-23-15-18)26-21-10-13-25-27(21)22;1-3-14-6-7-17(11-15(14)4-1)23-20-12-18(16-5-2-9-21-13-16)24-19-8-10-22-25(19)20;6*1-2/h1-6,9-11,14-15,19,27H,7-8,12-13H2;1-6,8,10-11,13-15,24H,7,9,12H2;1-2,4-5,8-10,12-13,17,23H,3,6-7,11H2;6*1-2H3.

What are the key properties of ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1242.72 g/mol, XLogP of 19.17, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159381763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).