7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane

C₄₇H₄₇ClF₂N₁₂ — CID 157212395

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane (PubChem CID 157212395) has the molecular formula C₄₇H₄₇ClF₂N₁₂ and a molecular weight of 853.43 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane.

Molecular Properties

• Compound Name: 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane
• PubChem CID: 157212395
• Molecular Formula: C₄₇H₄₇ClF₂N₁₂
• Molecular Weight: 853.43 g/mol
• Exact Mass: 852.37
• IUPAC Name: 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane
• SMILES: C.CC(CN)c1c[nH]c2ccccc12.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(C)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/C23H21FN6.C12H8ClFN4.C11H14N2.CH4/c1-14(19-13-26-20-6-4-3-5-18(19)20)9-27-22-8-21(16-7-17(24)12-25-11-16)29-23-15(2)10-28-30(22)23;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h3-8,10-14,26-27H,9H2,1-2H3;2-6H,1H3;2-5,7-8,13H,6,12H2,1H3;1H4
• InChIKey: ASAMZWOOTJMODR-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 155.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.43
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?

The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane (CID 157212395) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane.

What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?

The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane is C.CC(CN)c1c[nH]c2ccccc12.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(NCC(C)c3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.

What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?

The InChIKey is ASAMZWOOTJMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6.C12H8ClFN4.C11H14N2.CH4/c1-14(19-13-26-20-6-4-3-5-18(19)20)9-27-22-8-21(16-7-17(24)12-25-11-16)29-23-15(2)10-28-30(22)23;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h3-8,10-14,26-27H,9H2,1-2H3;2-6H,1H3;2-5,7-8,13H,6,12H2,1H3;1H4.

What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane?

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane has a molecular weight of 853.43 g/mol, XLogP of 10.69, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;2-(1H-indol-3-yl)propan-1-amine;methane is sourced from PubChem (CID 157212395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157212395 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.