1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one

C20H21N5O2 — CID 118116150

IUPAC1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cnc3[nH]cc(-c4ccc(C)nc4)c3n2)CC1
InChIInChI=1S/C20H21N5O2/c1-3-18(26)25-8-6-15(7-9-25)27-17-12-23-20-19(24-17)16(11-22-20)14-5-4-13(2)21-10-14/h3-5,10-12,15H,1,6-9H2,2H3,(H,22,23)
InChIKeyHVFAHQQAMATDNC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one

1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one (PubChem CID 118116150) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one
PubChem CID118116150
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cnc3[nH]cc(-c4ccc(C)nc4)c3n2)CC1
InChIInChI=1S/C20H21N5O2/c1-3-18(26)25-8-6-15(7-9-25)27-17-12-23-20-19(24-17)16(11-22-20)14-5-4-13(2)21-10-14/h3-5,10-12,15H,1,6-9H2,2H3,(H,22,23)
InChIKeyHVFAHQQAMATDNC-UHFFFAOYSA-N
XLogP2.88
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673749
N-[(2R)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-methoxypropan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673714
N-(3-cyanopropyl)-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674073
N-methyl-3-[2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 118115742
N-[[(1S,2R)-2-fluoro-1-hydroxycyclohexyl]methyl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122683070
N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 175794637
tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
CID 144855565
N-(3-cyanopropyl)-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-difluorocyclopentyl)-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158785828
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
1-[4-[5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 175306660
N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674100
2-[(1-prop-2-enoylpiperidin-4-yl)amino]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one (CID 118116150) is 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2cnc3[nH]cc(-c4ccc(C)nc4)c3n2)CC1.
What is the InChIKey of 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is HVFAHQQAMATDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-18(26)25-8-6-15(7-9-25)27-17-12-23-20-19(24-17)16(11-22-20)14-5-4-13(2)21-10-14/h3-5,10-12,15H,1,6-9H2,2H3,(H,22,23).
What are the key properties of 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 363.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118116150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).