(3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

C19H21N5O2 — CID 146537191

About (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

(3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 146537191) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
• PubChem CID: 146537191
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
• SMILES: Nc1ccc(-c2cnc3c(c2)C2(CC2)CN3)nc1C(=O)N1CCC(O)C1
• InChI: InChI=1S/C19H21N5O2/c20-14-1-2-15(23-16(14)18(26)24-6-3-12(25)9-24)11-7-13-17(21-8-11)22-10-19(13)4-5-19/h1-2,7-8,12,25H,3-6,9-10,20H2,(H,21,22)
• InChIKey: PCZIOROEPBKEOC-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 104.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?

The IUPAC name of (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 146537191) is (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.

What is the SMILES notation for (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?

The canonical SMILES for (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1ccc(-c2cnc3c(c2)C2(CC2)CN3)nc1C(=O)N1CCC(O)C1.

What is the InChIKey of (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?

The InChIKey is PCZIOROEPBKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-14-1-2-15(23-16(14)18(26)24-6-3-12(25)9-24)11-7-13-17(21-8-11)22-10-19(13)4-5-19/h1-2,7-8,12,25H,3-6,9-10,20H2,(H,21,22).

What are the key properties of (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?

(3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 146537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).