N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H30N6O2 — CID 129013481

IUPACN-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C26H30N6O2/c33-25(20-14-27-24-23(20)29-21(15-28-24)18-6-7-18)30-22(19-8-9-19)26(34)32-12-10-31(11-13-32)16-17-4-2-1-3-5-17/h1-5,14-15,18-19,22H,6-13,16H2,(H,27,28)(H,30,33)/t22-/m1/s1
InChIKeyVZODUGXPUGITGY-JOCHJYFZSA-N
MW458.57 g/mol
LogP2.69
Rot. Bonds7

About N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 129013481) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID129013481
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C26H30N6O2/c33-25(20-14-27-24-23(20)29-21(15-28-24)18-6-7-18)30-22(19-8-9-19)26(34)32-12-10-31(11-13-32)16-17-4-2-1-3-5-17/h1-5,14-15,18-19,22H,6-13,16H2,(H,27,28)(H,30,33)/t22-/m1/s1
InChIKeyVZODUGXPUGITGY-JOCHJYFZSA-N
XLogP2.69
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438606
methyl 1-[2-cyclohexyl-2-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]acetyl]pyrrolidine-3-carboxylate
CID 129033271
N-[(1R)-2-(4-aminopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288209
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386043
N-[(2R,3S)-1-(4-cyanopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438599
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
(1S)-1-amino-1-cyclopropyl-2-methylpropan-2-ol;cyclopropanecarbaldehyde;2-cyclopropyl-N-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2S)-2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]acetic acid
CID 161389810
2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674058
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 129013481) is N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VZODUGXPUGITGY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-25(20-14-27-24-23(20)29-21(15-28-24)18-6-7-18)30-22(19-8-9-19)26(34)32-12-10-31(11-13-32)16-17-4-2-1-3-5-17/h1-5,14-15,18-19,22H,6-13,16H2,(H,27,28)(H,30,33)/t22-/m1/s1.
What are the key properties of N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 129013481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).