5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide

C24H28F3N7O2 — CID 118115523

IUPAC5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide
SMILESCN1CCN(C2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5(C(F)(F)F)CC5)cc4)n3)C2)C1=O
InChIInChI=1S/C24H28F3N7O2/c1-32-11-12-34(22(32)36)17-3-2-10-33(14-17)18-13-29-19(20(28)35)21(31-18)30-16-6-4-15(5-7-16)23(8-9-23)24(25,26)27/h4-7,13,17H,2-3,8-12,14H2,1H3,(H2,28,35)(H,30,31)
InChIKeyPKTQCKAVZBYKDS-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.25
Rot. Bonds6

About 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide

5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide (PubChem CID 118115523) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide
PubChem CID118115523
Molecular FormulaC24H28F3N7O2
Molecular Weight503.53 g/mol
Exact Mass503.23
IUPAC Name5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide
SMILESCN1CCN(C2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5(C(F)(F)F)CC5)cc4)n3)C2)C1=O
InChIInChI=1S/C24H28F3N7O2/c1-32-11-12-34(22(32)36)17-3-2-10-33(14-17)18-13-29-19(20(28)35)21(31-18)30-16-6-4-15(5-7-16)23(8-9-23)24(25,26)27/h4-7,13,17H,2-3,8-12,14H2,1H3,(H2,28,35)(H,30,31)
InChIKeyPKTQCKAVZBYKDS-UHFFFAOYSA-N
XLogP3.25
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-carbamoyl-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]benzoic acid
CID 146558558
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146484926
5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
CID 118114824
3-[(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 176741920
tert-butyl 4-[5-[[3-carbamoyl-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146484957
3-[4-(4-methylpiperidin-4-yl)anilino]-5-[3-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 166452795
3-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,9-diazaspiro[5.5]undecan-9-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 156551380
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
4-[[3-cyano-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]benzoic acid
CID 175169480
3-[4-[4-[2-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 170391046
3-[4-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,8-diazaspiro[3.5]nonan-8-yl]anilino]-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 170391166
3-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-5-[4-(4-oxopiperidin-1-yl)anilino]-1,2,4-triazine-6-carboxamide
CID 166452745

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide (CID 118115523) is 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide is CN1CCN(C2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5(C(F)(F)F)CC5)cc4)n3)C2)C1=O.
What is the InChIKey of 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide?
The InChIKey is PKTQCKAVZBYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-32-11-12-34(22(32)36)17-3-2-10-33(14-17)18-13-29-19(20(28)35)21(31-18)30-16-6-4-15(5-7-16)23(8-9-23)24(25,26)27/h4-7,13,17H,2-3,8-12,14H2,1H3,(H2,28,35)(H,30,31).
What are the key properties of 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide?
5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 118115523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).