N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H23N5O3 — CID 122674100

IUPACN-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC(C)(Oc2cnc3[nH]cc(C(=O)NCC)c3n2)CC1
InChIInChI=1S/C18H23N5O3/c1-4-14(24)23-8-6-18(3,7-9-23)26-13-11-21-16-15(22-13)12(10-20-16)17(25)19-5-2/h4,10-11H,1,5-9H2,2-3H3,(H,19,25)(H,20,21)
InChIKeyCKTXEMYCMDNPKA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.65
Rot. Bonds5

About N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 122674100) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID122674100
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCC(C)(Oc2cnc3[nH]cc(C(=O)NCC)c3n2)CC1
InChIInChI=1S/C18H23N5O3/c1-4-14(24)23-8-6-18(3,7-9-23)26-13-11-21-16-15(22-13)12(10-20-16)17(25)19-5-2/h4,10-11H,1,5-9H2,2-3H3,(H,19,25)(H,20,21)
InChIKeyCKTXEMYCMDNPKA-UHFFFAOYSA-N
XLogP1.65
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(1-prop-2-enoylpiperidin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673913
N-[(2S)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673749
N-(3-cyanopropyl)-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674073
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
2-[(1-prop-2-enoylpiperidin-4-yl)amino]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674095
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
2-[(4-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-N-(4,4,4-trifluoro-2-methylbutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673805
N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673720
N-butyl-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118115928
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-ethyl-2-[(4-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-N-(4,4,4-trifluorobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674027
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 122674100) is N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCC(C)(Oc2cnc3[nH]cc(C(=O)NCC)c3n2)CC1.
What is the InChIKey of N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CKTXEMYCMDNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-14(24)23-8-6-18(3,7-9-23)26-13-11-21-16-15(22-13)12(10-20-16)17(25)19-5-2/h4,10-11H,1,5-9H2,2-3H3,(H,19,25)(H,20,21).
What are the key properties of N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122674100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).