[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C66H49Cl3F9N15O6 — CID 87574311

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1
InChIInChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2
InChIKeyNICSQZJCLQXXIC-UHFFFAOYSA-N
MW1425.56 g/mol
LogP14.77
Rot. Bonds9

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 87574311) has the molecular formula C66H49Cl3F9N15O6 and a molecular weight of 1425.56 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID87574311
Molecular FormulaC66H49Cl3F9N15O6
Molecular Weight1425.56 g/mol
Exact Mass1423.29
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1
InChIInChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2
InChIKeyNICSQZJCLQXXIC-UHFFFAOYSA-N
XLogP14.77
TPSA231.10 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.56
LogP ≤ 514.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 87574311) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NICSQZJCLQXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 1425.56 g/mol, XLogP of 14.77, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 87574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).