5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine

C27H30FN9O — CID 164859681

About 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine

5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine (PubChem CID 164859681) has the molecular formula C27H30FN9O and a molecular weight of 515.60 g/mol. Its IUPAC name is 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine
• PubChem CID: 164859681
• Molecular Formula: C27H30FN9O
• Molecular Weight: 515.60 g/mol
• Exact Mass: 515.26
• IUPAC Name: 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine
• SMILES: C[C@@H](Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(c3ncn[nH]3)C3CC3)C2)cnc1N)c1ncccc1F
• InChI: InChI=1S/C27H30FN9O/c1-16(23-19(28)3-2-8-30-23)38-21-11-18(13-31-25(21)29)20-12-22-27(7-10-37(22)35-20)6-9-36(14-27)24(17-4-5-17)26-32-15-33-34-26/h2-3,8,11-13,15-17,24H,4-7,9-10,14H2,1H3,(H2,29,31)(H,32,33,34)/t16-,24?,27-/m1/s1
• InChIKey: FLJGMZMWLOEPMY-YTJSEKOESA-N
• XLogP: 3.82
• TPSA: 123.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.60
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine?

The IUPAC name of 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine (CID 164859681) is 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine.

What is the SMILES notation for 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine?

The canonical SMILES for 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine is C[C@@H](Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(c3ncn[nH]3)C3CC3)C2)cnc1N)c1ncccc1F.

What is the InChIKey of 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine?

The InChIKey is FLJGMZMWLOEPMY-YTJSEKOESA-N. The full InChI is InChI=1S/C27H30FN9O/c1-16(23-19(28)3-2-8-30-23)38-21-11-18(13-31-25(21)29)20-12-22-27(7-10-37(22)35-20)6-9-36(14-27)24(17-4-5-17)26-32-15-33-34-26/h2-3,8,11-13,15-17,24H,4-7,9-10,14H2,1H3,(H2,29,31)(H,32,33,34)/t16-,24?,27-/m1/s1.

What are the key properties of 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine?

5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine has a molecular weight of 515.60 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 164859681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).