1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one

C14H17N5O — CID 118115835

IUPAC1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C14H17N5O/c1-2-13(20)19-7-4-10(5-8-19)17-12-9-16-14-11(18-12)3-6-15-14/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)(H,17,18)
InChIKeyUGEQKEXOZZZGSS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.55
Rot. Bonds3

About 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one

1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one (PubChem CID 118115835) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one
PubChem CID118115835
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C14H17N5O/c1-2-13(20)19-7-4-10(5-8-19)17-12-9-16-14-11(18-12)3-6-15-14/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)(H,17,18)
InChIKeyUGEQKEXOZZZGSS-UHFFFAOYSA-N
XLogP1.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one (CID 118115835) is 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Nc2cnc3[nH]ccc3n2)CC1.
What is the InChIKey of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is UGEQKEXOZZZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-13(20)19-7-4-10(5-8-19)17-12-9-16-14-11(18-12)3-6-15-14/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one?
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 271.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-ylamino)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118115835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).