5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide

C60H75F3N18O4 — CID 158772655

IUPAC5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCN(CC(F)(F)F)CC3)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C31H38F3N9O2.C29H37N9O2/c1-19-25(39-30(45)22-8-6-21(7-9-22)20-4-5-20)3-2-12-42(19)26-16-36-27(28(35)44)29(40-26)38-23-15-37-43(17-23)24-10-13-41(14-11-24)18-31(32,33)34;1-18-24(35-29(40)21-8-6-20(7-9-21)19-4-5-19)3-2-14-37(18)25-16-32-26(27(30)39)28(36-25)34-22-15-33-38(17-22)23-10-12-31-13-11-23/h6-9,15-17,19-20,24-25H,2-5,10-14,18H2,1H3,(H2,35,44)(H,38,40)(H,39,45);6-9,15-19,23-24,31H,2-5,10-14H2,1H3,(H2,30,39)(H,34,36)(H,35,40)/t19-,25-;18-,24-/m11/s1
InChIKeyIQBKPISJTWGVQZ-POLDIUTHSA-N
MW1169.38 g/mol
LogP7.48
Rot. Bonds17

About 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide

5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide (PubChem CID 158772655) has the molecular formula C60H75F3N18O4 and a molecular weight of 1169.38 g/mol. Its IUPAC name is 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
PubChem CID158772655
Molecular FormulaC60H75F3N18O4
Molecular Weight1169.38 g/mol
Exact Mass1168.62
IUPAC Name5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCN(CC(F)(F)F)CC3)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C31H38F3N9O2.C29H37N9O2/c1-19-25(39-30(45)22-8-6-21(7-9-22)20-4-5-20)3-2-12-42(19)26-16-36-27(28(35)44)29(40-26)38-23-15-37-43(17-23)24-10-13-41(14-11-24)18-31(32,33)34;1-18-24(35-29(40)21-8-6-20(7-9-21)19-4-5-19)3-2-14-37(18)25-16-32-26(27(30)39)28(36-25)34-22-15-33-38(17-22)23-10-12-31-13-11-23/h6-9,15-17,19-20,24-25H,2-5,10-14,18H2,1H3,(H2,35,44)(H,38,40)(H,39,45);6-9,15-19,23-24,31H,2-5,10-14H2,1H3,(H2,30,39)(H,34,36)(H,35,40)/t19-,25-;18-,24-/m11/s1
InChIKeyIQBKPISJTWGVQZ-POLDIUTHSA-N
XLogP7.48
TPSA277.39 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001169.38
LogP ≤ 57.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

US9586948, Example 34
CID 117871760
US9586948, Example 40
CID 117872205
US9586948, Example 49
CID 117873045
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
US9586948, Example 37
CID 117871492
US9586948, Example 50
CID 117873013
US9586948, Example 43
CID 117873179
US9586948, Example 47
CID 118388894
((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)methanone
CID 117728080
US9611277, Example 83
CID 86271234
2-amino-6-fluoro-N-[4-[6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200075
(5-Methyl-2-phenyltriazol-4-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098955

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide (CID 158772655) is 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCN(CC(F)(F)F)CC3)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C3CCNCC3)c2)n1.
What is the InChIKey of 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The InChIKey is IQBKPISJTWGVQZ-POLDIUTHSA-N. The full InChI is InChI=1S/C31H38F3N9O2.C29H37N9O2/c1-19-25(39-30(45)22-8-6-21(7-9-22)20-4-5-20)3-2-12-42(19)26-16-36-27(28(35)44)29(40-26)38-23-15-37-43(17-23)24-10-13-41(14-11-24)18-31(32,33)34;1-18-24(35-29(40)21-8-6-20(7-9-21)19-4-5-19)3-2-14-37(18)25-16-32-26(27(30)39)28(36-25)34-22-15-33-38(17-22)23-10-12-31-13-11-23/h6-9,15-17,19-20,24-25H,2-5,10-14,18H2,1H3,(H2,35,44)(H,38,40)(H,39,45);6-9,15-19,23-24,31H,2-5,10-14H2,1H3,(H2,30,39)(H,34,36)(H,35,40)/t19-,25-;18-,24-/m11/s1.
What are the key properties of 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide has a molecular weight of 1169.38 g/mol, XLogP of 7.48, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 158772655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).