N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H19N5O2 — CID 118641538

IUPACN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25)
InChIKeyMBSRYMRQUSEPDY-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.89
Rot. Bonds5

About N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118641538) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118641538
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25)
InChIKeyMBSRYMRQUSEPDY-UHFFFAOYSA-N
XLogP2.89
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[3-(prop-2-enoylamino)phenyl]sulfanyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propanoic acid
CID 118641759
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 141470778
2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540821
N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208819
N-[(1S,2R)-2-aminocyclohexyl]-2-[3-(prop-2-enoylamino)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118641797
N-[3-[[7-[3-[(2-methoxyacetyl)amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]phenyl]prop-2-enamide
CID 118641653
N-(4-propan-2-ylphenyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421656
[2-[3-(cyclopentylmethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
CID 67344238
N-[3-[[7-(6-pyridin-4-yl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]phenyl]prop-2-enamide
CID 118641473
N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 149184419
N-(2-methyl-6-propan-2-yl-3-pyridinyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421469

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118641538) is N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MBSRYMRQUSEPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25).
What are the key properties of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).