GLEIEKFWPCPLKE-JQWIXIFHSA-N

C₁₅H₁₉N₅O — CID 118115600

About GLEIEKFWPCPLKE-JQWIXIFHSA-N

GLEIEKFWPCPLKE-JQWIXIFHSA-N (PubChem CID 118115600) has the molecular formula C₁₅H₁₉N₅O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3R,4S)-4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: GLEIEKFWPCPLKE-JQWIXIFHSA-N
• PubChem CID: 118115600
• Molecular Formula: C₁₅H₁₉N₅O
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.16
• IUPAC Name: 1-[(3R,4S)-4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC[C@H](C)[C@@H](Nc2ncnc3[nH]ccc23)C1
• InChI: InChI=1S/C15H19N5O/c1-3-13(21)20-7-5-10(2)12(8-20)19-15-11-4-6-16-14(11)17-9-18-15/h3-4,6,9-10,12H,1,5,7-8H2,2H3,(H2,16,17,18,19)/t10-,12-/m0/s1
• InChIKey: GLEIEKFWPCPLKE-JQWIXIFHSA-N
• XLogP: 1.79
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of GLEIEKFWPCPLKE-JQWIXIFHSA-N?

The IUPAC name of GLEIEKFWPCPLKE-JQWIXIFHSA-N (CID 118115600) is 1-[(3R,4S)-4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for GLEIEKFWPCPLKE-JQWIXIFHSA-N?

The canonical SMILES for GLEIEKFWPCPLKE-JQWIXIFHSA-N is C=CC(=O)N1CC[C@H](C)[C@@H](Nc2ncnc3[nH]ccc23)C1.

What is the InChIKey of GLEIEKFWPCPLKE-JQWIXIFHSA-N?

The InChIKey is GLEIEKFWPCPLKE-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-13(21)20-7-5-10(2)12(8-20)19-15-11-4-6-16-14(11)17-9-18-15/h3-4,6,9-10,12H,1,5,7-8H2,2H3,(H2,16,17,18,19)/t10-,12-/m0/s1.

What are the key properties of GLEIEKFWPCPLKE-JQWIXIFHSA-N?

GLEIEKFWPCPLKE-JQWIXIFHSA-N has a molecular weight of 285.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for GLEIEKFWPCPLKE-JQWIXIFHSA-N is sourced from PubChem (CID 118115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118115600 — identifiers, structure, computed properties (public domain)

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