5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide

C25H34N8O2 — CID 165177582

IUPAC5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
SMILESCN1CCN([C@H]2CNCCC2c2cnc(C(N)=O)c(Nc3ccc(C4CCNCC4)cc3)n2)C1=O
InChIInChI=1S/C25H34N8O2/c1-32-12-13-33(25(32)35)21-15-28-11-8-19(21)20-14-29-22(23(26)34)24(31-20)30-18-4-2-16(3-5-18)17-6-9-27-10-7-17/h2-5,14,17,19,21,27-28H,6-13,15H2,1H3,(H2,26,34)(H,30,31)/t19?,21-/m0/s1
InChIKeyLXDKDJBMHDEKEQ-QWAKEFERSA-N
MW478.60 g/mol
LogP1.60
Rot. Bonds6

About 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide

5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 165177582) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID165177582
Molecular FormulaC25H34N8O2
Molecular Weight478.60 g/mol
Exact Mass478.28
IUPAC Name5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
SMILESCN1CCN([C@H]2CNCCC2c2cnc(C(N)=O)c(Nc3ccc(C4CCNCC4)cc3)n2)C1=O
InChIInChI=1S/C25H34N8O2/c1-32-12-13-33(25(32)35)21-15-28-11-8-19(21)20-14-29-22(23(26)34)24(31-20)30-18-4-2-16(3-5-18)17-6-9-27-10-7-17/h2-5,14,17,19,21,27-28H,6-13,15H2,1H3,(H2,26,34)(H,30,31)/t19?,21-/m0/s1
InChIKeyLXDKDJBMHDEKEQ-QWAKEFERSA-N
XLogP1.60
TPSA128.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide (CID 165177582) is 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide is CN1CCN([C@H]2CNCCC2c2cnc(C(N)=O)c(Nc3ccc(C4CCNCC4)cc3)n2)C1=O.
What is the InChIKey of 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is LXDKDJBMHDEKEQ-QWAKEFERSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-32-12-13-33(25(32)35)21-15-28-11-8-19(21)20-14-29-22(23(26)34)24(31-20)30-18-4-2-16(3-5-18)17-6-9-27-10-7-17/h2-5,14,17,19,21,27-28H,6-13,15H2,1H3,(H2,26,34)(H,30,31)/t19?,21-/m0/s1.
What are the key properties of 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 165177582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).