1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone

C25H29N5O3 — CID 159389175

About 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone

1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 159389175) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 159389175
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone
• SMILES: Nc1oc2cc(C3CC3)cnc2c1C(=O)Cc1cnccc1N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1
• InChI: InChI=1S/C25H29N5O3/c26-18-12-30(11-17(24(18)32)14-3-4-14)19-5-6-28-9-16(19)7-20(31)22-23-21(33-25(22)27)8-15(10-29-23)13-1-2-13/h5-6,8-10,13-14,17-18,24,32H,1-4,7,11-12,26-27H2/t17-,18-,24-/m1/s1
• InChIKey: LLWVHKKKHXVQHM-QZTZHPFYSA-N
• XLogP: 2.64
• TPSA: 131.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone (CID 159389175) is 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone is Nc1oc2cc(C3CC3)cnc2c1C(=O)Cc1cnccc1N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.

What is the InChIKey of 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is LLWVHKKKHXVQHM-QZTZHPFYSA-N. The full InChI is InChI=1S/C25H29N5O3/c26-18-12-30(11-17(24(18)32)14-3-4-14)19-5-6-28-9-16(19)7-20(31)22-23-21(33-25(22)27)8-15(10-29-23)13-1-2-13/h5-6,8-10,13-14,17-18,24,32H,1-4,7,11-12,26-27H2/t17-,18-,24-/m1/s1.

What are the key properties of 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone?

1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 447.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-6-cyclopropylfuro[3,2-b]pyridin-3-yl)-2-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159389175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).