2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H28N6O3 — CID 129024068

IUPAC2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC(C(=O)NCCC(=O)N1CCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C22H28N6O3/c29-17(28-9-1-2-10-28)7-8-23-22(31)18(14-5-6-14)27-21(30)15-11-24-20-19(15)26-16(12-25-20)13-3-4-13/h11-14,18H,1-10H2,(H,23,31)(H,24,25)(H,27,30)
InChIKeyYFZHGWBUCASESQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.47
Rot. Bonds8

About 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 129024068) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID129024068
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC(C(=O)NCCC(=O)N1CCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C22H28N6O3/c29-17(28-9-1-2-10-28)7-8-23-22(31)18(14-5-6-14)27-21(30)15-11-24-20-19(15)26-16(12-25-20)13-3-4-13/h11-14,18H,1-10H2,(H,23,31)(H,24,25)(H,27,30)
InChIKeyYFZHGWBUCASESQ-UHFFFAOYSA-N
XLogP1.47
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 129024068) is 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NC(C(=O)NCCC(=O)N1CCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YFZHGWBUCASESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c29-17(28-9-1-2-10-28)7-8-23-22(31)18(14-5-6-14)27-21(30)15-11-24-20-19(15)26-16(12-25-20)13-3-4-13/h11-14,18H,1-10H2,(H,23,31)(H,24,25)(H,27,30).
What are the key properties of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 129024068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).