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

C18H24N6O2 — CID 122673720

IUPACN-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CC[C@H](Nc2cnc3[nH]cc(C(=O)NCC)c3n2)C[C@@H]1C
InChIInChI=1S/C18H24N6O2/c1-4-15(25)24-7-6-12(8-11(24)3)22-14-10-21-17-16(23-14)13(9-20-17)18(26)19-5-2/h4,9-12H,1,5-8H2,2-3H3,(H,19,26)(H,20,21)(H,22,23)/t11-,12-/m0/s1
InChIKeyOOPLWRZCJCWOAZ-RYUDHWBXSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds5

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

N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 122673720) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID122673720
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CC[C@H](Nc2cnc3[nH]cc(C(=O)NCC)c3n2)C[C@@H]1C
InChIInChI=1S/C18H24N6O2/c1-4-15(25)24-7-6-12(8-11(24)3)22-14-10-21-17-16(23-14)13(9-20-17)18(26)19-5-2/h4,9-12H,1,5-8H2,2-3H3,(H,19,26)(H,20,21)(H,22,23)/t11-,12-/m0/s1
InChIKeyOOPLWRZCJCWOAZ-RYUDHWBXSA-N
XLogP1.68
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
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-[(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-ethyl-2-[(1-prop-2-enoylpiperidin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673913
2-[(1-prop-2-enoylpiperidin-4-yl)amino]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674095
N-butyl-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118115928
N-[(1R,2R)-2-methylcyclopropyl]-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158302339
N-[(2R)-2-(cyanomethyl)butyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 163468189
N-propan-2-yl-2-[[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116109
N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673905
N-[(4-methoxyphenyl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673859
N-propan-2-yl-2-[[(1R,5S)-8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116015
N-[(2S)-1-methoxypropan-2-yl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116077
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674035

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 122673720) is N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CC[C@H](Nc2cnc3[nH]cc(C(=O)NCC)c3n2)C[C@@H]1C.
What is the InChIKey of N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OOPLWRZCJCWOAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-4-15(25)24-7-6-12(8-11(24)3)22-14-10-21-17-16(23-14)13(9-20-17)18(26)19-5-2/h4,9-12H,1,5-8H2,2-3H3,(H,19,26)(H,20,21)(H,22,23)/t11-,12-/m0/s1.
What are the key properties of N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122673720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).