4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C115H123F13N30O12 — CID 160925647

IUPAC4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.C[C@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.N#Cc1ccc2c(c1)OCCC2N1CCN(C(=O)Nc2cccnn2)CC1.O=C(Nc1cccnc1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2cccc3C(F)(F)F)CC1
InChIInChI=1S/2C20H22F3N5O2.C19H20F3N5O2.C19H20F2N4O2.C19H20N6O2.C18H19F2N5O2/c2*1-13-12-27(19(29)25-18-3-2-7-24-26-18)8-9-28(13)16-6-10-30-17-11-14(20(21,22)23)4-5-15(16)17;20-19(21,22)14-4-1-3-13-15(6-12-29-17(13)14)26-8-10-27(11-9-26)18(28)24-16-5-2-7-23-25-16;20-15-4-3-14-16(5-11-27-18(14)17(15)21)24-7-9-25(10-8-24)19(26)23-13-2-1-6-22-12-13;20-13-14-3-4-15-16(5-11-27-17(15)12-14)24-7-9-25(10-8-24)19(26)22-18-2-1-6-21-23-18;19-13-4-3-12-14(5-11-27-17(12)16(13)20)24-7-9-25(10-8-24)18(26)22-15-2-1-6-21-23-15/h2*2-5,7,11,13,16H,6,8-10,12H2,1H3,(H,25,26,29);1-5,7,15H,6,8-12H2,(H,24,25,28);1-4,6,12,16H,5,7-11H2,(H,23,26);1-4,6,12,16H,5,7-11H2,(H,22,23,26);1-4,6,14H,5,7-11H2,(H,22,23,26)/t2*13-,16?;;;;/m10..../s1
InChIKeySSPJPIIGJBFREX-SMSLELLRSA-N
MW2364.42 g/mol
LogP17.77
Rot. Bonds12

About 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 160925647) has the molecular formula C115H123F13N30O12 and a molecular weight of 2364.42 g/mol. Its IUPAC name is 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID160925647
Molecular FormulaC115H123F13N30O12
Molecular Weight2364.42 g/mol
Exact Mass2362.97
IUPAC Name4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.C[C@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.N#Cc1ccc2c(c1)OCCC2N1CCN(C(=O)Nc2cccnn2)CC1.O=C(Nc1cccnc1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2cccc3C(F)(F)F)CC1
InChIInChI=1S/2C20H22F3N5O2.C19H20F3N5O2.C19H20F2N4O2.C19H20N6O2.C18H19F2N5O2/c2*1-13-12-27(19(29)25-18-3-2-7-24-26-18)8-9-28(13)16-6-10-30-17-11-14(20(21,22)23)4-5-15(16)17;20-19(21,22)14-4-1-3-13-15(6-12-29-17(13)14)26-8-10-27(11-9-26)18(28)24-16-5-2-7-23-25-16;20-15-4-3-14-16(5-11-27-18(14)17(15)21)24-7-9-25(10-8-24)19(26)23-13-2-1-6-22-12-13;20-13-14-3-4-15-16(5-11-27-17(15)12-14)24-7-9-25(10-8-24)19(26)22-18-2-1-6-21-23-18;19-13-4-3-12-14(5-11-27-17(12)16(13)20)24-7-9-25(10-8-24)18(26)22-15-2-1-6-21-23-15/h2*2-5,7,11,13,16H,6,8-10,12H2,1H3,(H,25,26,29);1-5,7,15H,6,8-12H2,(H,24,25,28);1-4,6,12,16H,5,7-11H2,(H,23,26);1-4,6,12,16H,5,7-11H2,(H,22,23,26);1-4,6,14H,5,7-11H2,(H,22,23,26)/t2*13-,16?;;;;/m10..../s1
InChIKeySSPJPIIGJBFREX-SMSLELLRSA-N
XLogP17.77
TPSA434.44 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.42
LogP ≤ 517.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 160925647) is 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is C[C@@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.C[C@H]1CN(C(=O)Nc2cccnn2)CCN1C1CCOc2cc(C(F)(F)F)ccc21.N#Cc1ccc2c(c1)OCCC2N1CCN(C(=O)Nc2cccnn2)CC1.O=C(Nc1cccnc1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2ccc(F)c3F)CC1.O=C(Nc1cccnn1)N1CCN(C2CCOc3c2cccc3C(F)(F)F)CC1.
What is the InChIKey of 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is SSPJPIIGJBFREX-SMSLELLRSA-N. The full InChI is InChI=1S/2C20H22F3N5O2.C19H20F3N5O2.C19H20F2N4O2.C19H20N6O2.C18H19F2N5O2/c2*1-13-12-27(19(29)25-18-3-2-7-24-26-18)8-9-28(13)16-6-10-30-17-11-14(20(21,22)23)4-5-15(16)17;20-19(21,22)14-4-1-3-13-15(6-12-29-17(13)14)26-8-10-27(11-9-26)18(28)24-16-5-2-7-23-25-16;20-15-4-3-14-16(5-11-27-18(14)17(15)21)24-7-9-25(10-8-24)19(26)23-13-2-1-6-22-12-13;20-13-14-3-4-15-16(5-11-27-17(15)12-14)24-7-9-25(10-8-24)19(26)22-18-2-1-6-21-23-18;19-13-4-3-12-14(5-11-27-17(12)16(13)20)24-7-9-25(10-8-24)18(26)22-15-2-1-6-21-23-15/h2*2-5,7,11,13,16H,6,8-10,12H2,1H3,(H,25,26,29);1-5,7,15H,6,8-12H2,(H,24,25,28);1-4,6,12,16H,5,7-11H2,(H,23,26);1-4,6,12,16H,5,7-11H2,(H,22,23,26);1-4,6,14H,5,7-11H2,(H,22,23,26)/t2*13-,16?;;;;/m10..../s1.
What are the key properties of 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide has a molecular weight of 2364.42 g/mol, XLogP of 17.77, 12 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 160925647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).