4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide

C62H72F4N24O3 — CID 158436544

IUPAC4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCc1cc(C)n(-c2nc(Nc3ccc(F)cc3F)cc(N3CCNC(C(N)=O)C3)n2)n1.Cc1ccc(Nc2cc(N3CCN[C@@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1.Cc1ccc(Nc2cc(N3CCN[C@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1
InChIInChI=1S/2C21H25FN8O.C20H22F2N8O/c2*1-12-4-5-16(15(22)8-12)25-18-10-19(29-7-6-24-17(11-29)20(23)31)27-21(26-18)30-14(3)9-13(2)28-30;1-11-7-12(2)30(28-11)20-26-17(25-15-4-3-13(21)8-14(15)22)9-18(27-20)29-6-5-24-16(10-29)19(23)31/h2*4-5,8-10,17,24H,6-7,11H2,1-3H3,(H2,23,31)(H,25,26,27);3-4,7-9,16,24H,5-6,10H2,1-2H3,(H2,23,31)(H,25,26,27)/t2*17-;/m10./s1
InChIKeyHCHIKKBHOBOSMB-PUTKXPNSSA-N
MW1277.41 g/mol
LogP5.03
Rot. Bonds15

About 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide

4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 158436544) has the molecular formula C62H72F4N24O3 and a molecular weight of 1277.41 g/mol. Its IUPAC name is 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
PubChem CID158436544
Molecular FormulaC62H72F4N24O3
Molecular Weight1277.41 g/mol
Exact Mass1276.62
IUPAC Name4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCc1cc(C)n(-c2nc(Nc3ccc(F)cc3F)cc(N3CCNC(C(N)=O)C3)n2)n1.Cc1ccc(Nc2cc(N3CCN[C@@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1.Cc1ccc(Nc2cc(N3CCN[C@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1
InChIInChI=1S/2C21H25FN8O.C20H22F2N8O/c2*1-12-4-5-16(15(22)8-12)25-18-10-19(29-7-6-24-17(11-29)20(23)31)27-21(26-18)30-14(3)9-13(2)28-30;1-11-7-12(2)30(28-11)20-26-17(25-15-4-3-13(21)8-14(15)22)9-18(27-20)29-6-5-24-16(10-29)19(23)31/h2*4-5,8-10,17,24H,6-7,11H2,1-3H3,(H2,23,31)(H,25,26,27);3-4,7-9,16,24H,5-6,10H2,1-2H3,(H2,23,31)(H,25,26,27)/t2*17-;/m10./s1
InChIKeyHCHIKKBHOBOSMB-PUTKXPNSSA-N
XLogP5.03
TPSA341.97 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001277.41
LogP ≤ 55.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
CID 132219072
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
CID 132219073
4-[2-[(2,4-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide
CID 152976671
3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one
CID 157356345
(2R)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide
CID 157568917
(2S)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide
CID 157568918
4-[6-[(2,4-Difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide
CID 157568919
4-[2-[(3,4-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide
CID 157948892
N-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-[(7S)-4,7,8-trimethyl-6-oxo-5,7-dihydropteridin-2-yl]acetamide;(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 158631393
1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide
CID 159179565
1-[4-[6-Chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-(trifluoromethyl)aniline
CID 159743269
1-[4-[2-[(2,3-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 159760723

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide (CID 158436544) is 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide is Cc1cc(C)n(-c2nc(Nc3ccc(F)cc3F)cc(N3CCNC(C(N)=O)C3)n2)n1.Cc1ccc(Nc2cc(N3CCN[C@@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1.Cc1ccc(Nc2cc(N3CCN[C@H](C(N)=O)C3)nc(-n3nc(C)cc3C)n2)c(F)c1.
What is the InChIKey of 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide?
The InChIKey is HCHIKKBHOBOSMB-PUTKXPNSSA-N. The full InChI is InChI=1S/2C21H25FN8O.C20H22F2N8O/c2*1-12-4-5-16(15(22)8-12)25-18-10-19(29-7-6-24-17(11-29)20(23)31)27-21(26-18)30-14(3)9-13(2)28-30;1-11-7-12(2)30(28-11)20-26-17(25-15-4-3-13(21)8-14(15)22)9-18(27-20)29-6-5-24-16(10-29)19(23)31/h2*4-5,8-10,17,24H,6-7,11H2,1-3H3,(H2,23,31)(H,25,26,27);3-4,7-9,16,24H,5-6,10H2,1-2H3,(H2,23,31)(H,25,26,27)/t2*17-;/m10./s1.
What are the key properties of 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide?
4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 1277.41 g/mol, XLogP of 5.03, 15 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 158436544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).