4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

C98H100ClF4N21O — CID 159864415

IUPAC4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCN1CC=C(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.Fc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncc2)cc1.Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C21H23FN4O.C20H19ClN4.C20H20FN3.C19H19FN4.C18H19FN6/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25;1-25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15;21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15;20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17;19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h2-9,16H,1,10-15H2;2-8,10-11H,9,12-13H2,1H3,(H,23,24);1-6,9-10,13,15,23-24H,7-8,11-12H2;1-6,9-10,13,17,22H,7-8,11-12H2;1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
InChIKeyNRNZZRPBCFVVNM-UHFFFAOYSA-N
MW1699.47 g/mol
LogP18.66
Rot. Bonds18

About 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (PubChem CID 159864415) has the molecular formula C98H100ClF4N21O and a molecular weight of 1699.47 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
PubChem CID159864415
Molecular FormulaC98H100ClF4N21O
Molecular Weight1699.47 g/mol
Exact Mass1697.80
IUPAC Name4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCN1CC=C(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.Fc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncc2)cc1.Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C21H23FN4O.C20H19ClN4.C20H20FN3.C19H19FN4.C18H19FN6/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25;1-25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15;21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15;20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17;19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h2-9,16H,1,10-15H2;2-8,10-11H,9,12-13H2,1H3,(H,23,24);1-6,9-10,13,15,23-24H,7-8,11-12H2;1-6,9-10,13,17,22H,7-8,11-12H2;1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
InChIKeyNRNZZRPBCFVVNM-UHFFFAOYSA-N
XLogP18.66
TPSA253.09 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001699.47
LogP ≤ 518.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (CID 159864415) is 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is CN1CC=C(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.Fc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncc2)cc1.Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The InChIKey is NRNZZRPBCFVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O.C20H19ClN4.C20H20FN3.C19H19FN4.C18H19FN6/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25;1-25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15;21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15;20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17;19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h2-9,16H,1,10-15H2;2-8,10-11H,9,12-13H2,1H3,(H,23,24);1-6,9-10,13,15,23-24H,7-8,11-12H2;1-6,9-10,13,17,22H,7-8,11-12H2;1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24).
What are the key properties of 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine has a molecular weight of 1699.47 g/mol, XLogP of 18.66, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine;4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 159864415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).