N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H25N5O4 — CID 137370958

IUPACN-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCCC1COc1cnc2[nH]cc(C(=O)NC(C)COC)c2n1
InChIInChI=1S/C19H25N5O4/c1-4-16(25)24-7-5-6-13(24)11-28-15-9-21-18-17(23-15)14(8-20-18)19(26)22-12(2)10-27-3/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,20,21)(H,22,26)
InChIKeyJLSRDLJGNSNJIM-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.28
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 137370958) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID137370958
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)N1CCCC1COc1cnc2[nH]cc(C(=O)NC(C)COC)c2n1
InChIInChI=1S/C19H25N5O4/c1-4-16(25)24-7-5-6-13(24)11-28-15-9-21-18-17(23-15)14(8-20-18)19(26)22-12(2)10-27-3/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,20,21)(H,22,26)
InChIKeyJLSRDLJGNSNJIM-UHFFFAOYSA-N
XLogP1.28
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[(2S)-1-methoxypropan-2-yl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116077
N-[(2S)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673749
2-[(3S)-3-ethyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118135182
N-propan-2-yl-2-[[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116109
N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67344154
2-[[(3S,4S)-3-methoxy-1-prop-2-enoylpiperidin-4-yl]amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116069
2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118135183
2-(methylamino)-N-pentan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;1-piperidin-1-ylprop-2-en-1-one
CID 145183209
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
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
N-[(2R)-3-methoxy-2-methylpropyl]-2-[[(3S,4R)-3-methoxy-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122683076

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 137370958) is N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCCC1COc1cnc2[nH]cc(C(=O)NC(C)COC)c2n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JLSRDLJGNSNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-4-16(25)24-7-5-6-13(24)11-28-15-9-21-18-17(23-15)14(8-20-18)19(26)22-12(2)10-27-3/h4,8-9,12-13H,1,5-7,10-11H2,2-3H3,(H,20,21)(H,22,26).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 137370958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).