N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide

C84H92F8N34O5 — CID 160699192

IUPACN-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
SMILESCC(C)c1noc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)n1.CCc1cnc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)nc1.Cc1nnnn1-c1ccc(C(=O)N(C2CC2)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2F)cn1.O=C(c1cnc(-n2cncn2)cn1)N(C1CC1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1F
InChIInChI=1S/C22H22F4N8O.C21H20F4N8O.C21H25N9O.C20H25N9O2/c1-13-29-30-31-34(13)20-6-2-14(10-27-20)21(35)33(16-4-5-16)18-8-9-32(12-17(18)23)19-7-3-15(11-28-19)22(24,25)26;22-15-10-31(18-4-1-13(7-28-18)21(23,24)25)6-5-17(15)33(14-2-3-14)20(34)16-8-29-19(9-27-16)32-12-26-11-30-32;1-2-15-9-25-21(26-10-15)28-7-5-17(6-8-28)30(16-3-4-16)20(31)18-11-24-19(12-23-18)29-14-22-13-27-29;1-13(2)18-25-20(31-26-18)27-7-5-15(6-8-27)29(14-3-4-14)19(30)16-9-23-17(10-22-16)28-12-21-11-24-28/h2-3,6-7,10-11,16-18H,4-5,8-9,12H2,1H3;1,4,7-9,11-12,14-15,17H,2-3,5-6,10H2;9-14,16-17H,2-8H2,1H3;9-15H,3-8H2,1-2H3/t17-,18+;15-,17+;;/m00../s1
InChIKeyRQJVERCUYOURPA-MLQYFBRRSA-N
MW1809.88 g/mol
LogP9.21
Rot. Bonds22

About N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide

N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 160699192) has the molecular formula C84H92F8N34O5 and a molecular weight of 1809.88 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
PubChem CID160699192
Molecular FormulaC84H92F8N34O5
Molecular Weight1809.88 g/mol
Exact Mass1808.79
IUPAC NameN-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
SMILESCC(C)c1noc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)n1.CCc1cnc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)nc1.Cc1nnnn1-c1ccc(C(=O)N(C2CC2)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2F)cn1.O=C(c1cnc(-n2cncn2)cn1)N(C1CC1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1F
InChIInChI=1S/C22H22F4N8O.C21H20F4N8O.C21H25N9O.C20H25N9O2/c1-13-29-30-31-34(13)20-6-2-14(10-27-20)21(35)33(16-4-5-16)18-8-9-32(12-17(18)23)19-7-3-15(11-28-19)22(24,25)26;22-15-10-31(18-4-1-13(7-28-18)21(23,24)25)6-5-17(15)33(14-2-3-14)20(34)16-8-29-19(9-27-16)32-12-26-11-30-32;1-2-15-9-25-21(26-10-15)28-7-5-17(6-8-28)30(16-3-4-16)20(31)18-11-24-19(12-23-18)29-14-22-13-27-29;1-13(2)18-25-20(31-26-18)27-7-5-15(6-8-27)29(14-3-4-14)19(30)16-9-23-17(10-22-16)28-12-21-11-24-28/h2-3,6-7,10-11,16-18H,4-5,8-9,12H2,1H3;1,4,7-9,11-12,14-15,17H,2-3,5-6,10H2;9-14,16-17H,2-8H2,1H3;9-15H,3-8H2,1-2H3/t17-,18+;15-,17+;;/m00../s1
InChIKeyRQJVERCUYOURPA-MLQYFBRRSA-N
XLogP9.21
TPSA410.64 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.88
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide (CID 160699192) is N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide is CC(C)c1noc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)n1.CCc1cnc(N2CCC(N(C(=O)c3cnc(-n4cncn4)cn3)C3CC3)CC2)nc1.Cc1nnnn1-c1ccc(C(=O)N(C2CC2)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2F)cn1.O=C(c1cnc(-n2cncn2)cn1)N(C1CC1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1F.
What is the InChIKey of N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is RQJVERCUYOURPA-MLQYFBRRSA-N. The full InChI is InChI=1S/C22H22F4N8O.C21H20F4N8O.C21H25N9O.C20H25N9O2/c1-13-29-30-31-34(13)20-6-2-14(10-27-20)21(35)33(16-4-5-16)18-8-9-32(12-17(18)23)19-7-3-15(11-28-19)22(24,25)26;22-15-10-31(18-4-1-13(7-28-18)21(23,24)25)6-5-17(15)33(14-2-3-14)20(34)16-8-29-19(9-27-16)32-12-26-11-30-32;1-2-15-9-25-21(26-10-15)28-7-5-17(6-8-28)30(16-3-4-16)20(31)18-11-24-19(12-23-18)29-14-22-13-27-29;1-13(2)18-25-20(31-26-18)27-7-5-15(6-8-27)29(14-3-4-14)19(30)16-9-23-17(10-22-16)28-12-21-11-24-28/h2-3,6-7,10-11,16-18H,4-5,8-9,12H2,1H3;1,4,7-9,11-12,14-15,17H,2-3,5-6,10H2;9-14,16-17H,2-8H2,1H3;9-15H,3-8H2,1-2H3/t17-,18+;15-,17+;;/m00../s1.
What are the key properties of N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 1809.88 g/mol, XLogP of 9.21, 22 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-(5-methyltetrazol-1-yl)pyridine-3-carboxamide;N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide;N-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 160699192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).