(4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C24H29N7O2S — CID 170429372

About (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

(4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 170429372) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 170429372
• Molecular Formula: C24H29N7O2S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.21
• IUPAC Name: (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CC(Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)NC3CCC3)C2)cnc1N)c1nccs1
• InChI: InChI=1S/C24H29N7O2S/c1-15(22-26-7-10-34-22)33-19-11-16(13-27-21(19)25)18-12-20-24(6-9-31(20)29-18)5-8-30(14-24)23(32)28-17-3-2-4-17/h7,10-13,15,17H,2-6,8-9,14H2,1H3,(H2,25,27)(H,28,32)/t15?,24-/m1/s1
• InChIKey: PXQNEFNTDHWBCM-VXQRJTRRSA-N
• XLogP: 3.73
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 170429372) is (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

What is the SMILES notation for (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CC(Oc1cc(-c2cc3n(n2)CC[C@@]32CCN(C(=O)NC3CCC3)C2)cnc1N)c1nccs1.

What is the InChIKey of (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The InChIKey is PXQNEFNTDHWBCM-VXQRJTRRSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-15(22-26-7-10-34-22)33-19-11-16(13-27-21(19)25)18-12-20-24(6-9-31(20)29-18)5-8-30(14-24)23(32)28-17-3-2-4-17/h7,10-13,15,17H,2-6,8-9,14H2,1H3,(H2,25,27)(H,28,32)/t15?,24-/m1/s1.

What are the key properties of (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

(4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[6-amino-5-[1-(1,3-thiazol-2-yl)ethoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 170429372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).