7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine

C29H34FN7 — CID 155161246

About 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine

7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155161246) has the molecular formula C29H34FN7 and a molecular weight of 499.64 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 155161246
• Molecular Formula: C29H34FN7
• Molecular Weight: 499.64 g/mol
• Exact Mass: 499.29
• IUPAC Name: 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CC(CC1CCC(C)N1C)c1ccc(Nc2ncc3c(F)c(C4CC4)n(-c4cccc(N)n4)c3n2)cc1
• InChI: InChI=1S/C29H34FN7/c1-17(15-22-14-7-18(2)36(22)3)19-10-12-21(13-11-19)33-29-32-16-23-26(30)27(20-8-9-20)37(28(23)35-29)25-6-4-5-24(31)34-25/h4-6,10-13,16-18,20,22H,7-9,14-15H2,1-3H3,(H2,31,34)(H,32,33,35)
• InChIKey: PGUNZKCERNOESX-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 84.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.64
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine (CID 155161246) is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine is CC(CC1CCC(C)N1C)c1ccc(Nc2ncc3c(F)c(C4CC4)n(-c4cccc(N)n4)c3n2)cc1.

What is the InChIKey of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is PGUNZKCERNOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7/c1-17(15-22-14-7-18(2)36(22)3)19-10-12-21(13-11-19)33-29-32-16-23-26(30)27(20-8-9-20)37(28(23)35-29)25-6-4-5-24(31)34-25/h4-6,10-13,16-18,20,22H,7-9,14-15H2,1-3H3,(H2,31,34)(H,32,33,35).

What are the key properties of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine?

7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 499.64 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-[1-(1,5-dimethylpyrrolidin-2-yl)propan-2-yl]phenyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155161246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).