3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide

C19H25N5O2 — CID 160524898

IUPAC3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3c(n2)C(C(=O)NC(C)C)=CC3)C[C@@H]1C
InChIInChI=1S/C19H25N5O2/c1-5-17(25)24-9-8-23(11-13(24)4)16-10-20-15-7-6-14(18(15)22-16)19(26)21-12(2)3/h5-6,10,12-13H,1,7-9,11H2,2-4H3,(H,21,26)/t13-/m0/s1
InChIKeyQUTKVYTWVZKMBA-ZDUSSCGKSA-N
MW355.44 g/mol
LogP1.16
Rot. Bonds4

About 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide

3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide (PubChem CID 160524898) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide
PubChem CID160524898
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide
SMILESC=CC(=O)N1CCN(c2cnc3c(n2)C(C(=O)NC(C)C)=CC3)C[C@@H]1C
InChIInChI=1S/C19H25N5O2/c1-5-17(25)24-9-8-23(11-13(24)4)16-10-20-15-7-6-14(18(15)22-16)19(26)21-12(2)3/h5-6,10,12-13H,1,7-9,11H2,2-4H3,(H,21,26)/t13-/m0/s1
InChIKeyQUTKVYTWVZKMBA-ZDUSSCGKSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.16
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

3-[(3S)-3-(2-methylpropyl)-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide
CID 159923061
3-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide
CID 157314249
2-[(3S)-3-ethyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118135182
2-[4-chloro-6-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 7418112
2-[(3S)-3-ethyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-4,7a-dihydro-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 134485773
1-[(2R)-4-[4-(2-ethoxypyrimidin-5-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
CID 142796278
4-[(1R)-1-(3-fluoro-4-methylphenyl)-2-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]ethoxy]-N-propan-2-ylbenzamide
CID 178150427
1-[(2R)-4-(2,6-dimethoxypyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889356
2-[(2R)-2-cyclopropyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118135183
1-[2-methyl-4-(7-naphthalen-1-yl-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 156653022
(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
CID 151298400
2-[4-[methyl(prop-2-enoyl)amino]piperidin-1-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118135126

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide?
The IUPAC name of 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide (CID 160524898) is 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide.
What is the SMILES notation for 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide?
The canonical SMILES for 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide is C=CC(=O)N1CCN(c2cnc3c(n2)C(C(=O)NC(C)C)=CC3)C[C@@H]1C.
What is the InChIKey of 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide?
The InChIKey is QUTKVYTWVZKMBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-5-17(25)24-9-8-23(11-13(24)4)16-10-20-15-7-6-14(18(15)22-16)19(26)21-12(2)3/h5-6,10,12-13H,1,7-9,11H2,2-4H3,(H,21,26)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide?
3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-N-propan-2-yl-7H-cyclopenta[b]pyrazine-5-carboxamide is sourced from PubChem (CID 160524898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).