5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C25H25FN6 — CID 140944726

About 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 140944726) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 140944726
• Molecular Formula: C25H25FN6
• Molecular Weight: 428.52 g/mol
• Exact Mass: 428.21
• IUPAC Name: 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)c1cnn2c(N[C@H](C)Cc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/C25H25FN6/c1-15(2)21-14-29-32-24(10-23(31-25(21)32)18-9-19(26)13-27-11-18)30-16(3)8-17-12-28-22-7-5-4-6-20(17)22/h4-7,9-16,28,30H,8H2,1-3H3/t16-/m1/s1
• InChIKey: LQLLIHJJLGQABE-MRXNPFEDSA-N
• XLogP: 5.58
• TPSA: 70.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.52
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 140944726) is 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(N[C@H](C)Cc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.

What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LQLLIHJJLGQABE-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H25FN6/c1-15(2)21-14-29-32-24(10-23(31-25(21)32)18-9-19(26)13-27-11-18)30-16(3)8-17-12-28-22-7-5-4-6-20(17)22/h4-7,9-16,28,30H,8H2,1-3H3/t16-/m1/s1.

What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 428.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 140944726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).