6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile

C27H32N6O3 — CID 71118450

About 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile

6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 71118450) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile
• PubChem CID: 71118450
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile
• SMILES: N#Cc1cc(Nc2ccnc(CO)c2)c(C2CC2)nc1N1CCN(C(=O)C[C@H]2CCO2)[C@H](C2CC2)C1
• InChI: InChI=1S/C27H32N6O3/c28-14-19-11-23(30-20-5-7-29-21(12-20)16-34)26(18-3-4-18)31-27(19)32-8-9-33(24(15-32)17-1-2-17)25(35)13-22-6-10-36-22/h5,7,11-12,17-18,22,24,34H,1-4,6,8-10,13,15-16H2,(H,29,30)/t22-,24+/m1/s1
• InChIKey: RBPHIHJRTQGFMS-VWNXMTODSA-N
• XLogP: 3.07
• TPSA: 114.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile?

The IUPAC name of 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile (CID 71118450) is 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile is N#Cc1cc(Nc2ccnc(CO)c2)c(C2CC2)nc1N1CCN(C(=O)C[C@H]2CCO2)[C@H](C2CC2)C1.

What is the InChIKey of 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile?

The InChIKey is RBPHIHJRTQGFMS-VWNXMTODSA-N. The full InChI is InChI=1S/C27H32N6O3/c28-14-19-11-23(30-20-5-7-29-21(12-20)16-34)26(18-3-4-18)31-27(19)32-8-9-33(24(15-32)17-1-2-17)25(35)13-22-6-10-36-22/h5,7,11-12,17-18,22,24,34H,1-4,6,8-10,13,15-16H2,(H,29,30)/t22-,24+/m1/s1.

What are the key properties of 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile?

6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 488.59 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-[[2-(hydroxymethyl)-4-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 71118450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).