6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one

C137H133F2N35O9 — CID 159861784

IUPAC6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-n2cnc3cc(OCC4COC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCc1cn(-c2cc3c(=O)n(-c4cccc(-c5nccn5C(C)C)n4)cnc3cc2C)cn1.Cc1cc2ncn(-c3cccc(-c4nccn4C(C)CO)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCC(F)(F)CC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCOCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C29H27F2N7O.C29H29N7O3.C28H27N7O2.C26H25N7O2.C25H25N7O/c1-18-13-23-21(14-25(18)36-15-24(33-16-36)19-5-6-19)28(39)38(17-34-23)26-4-2-3-22(35-26)27-32-11-12-37(27)20-7-9-29(30,31)10-8-20;1-18(2)35-9-8-30-28(35)22-4-3-5-27(33-22)36-17-32-23-11-26(39-15-19-13-38-14-19)25(10-21(23)29(36)37)34-12-24(31-16-34)20-6-7-20;1-18-13-23-21(14-25(18)33-15-24(30-16-33)19-5-6-19)28(36)35(17-31-23)26-4-2-3-22(32-26)27-29-9-10-34(27)20-7-11-37-12-8-20;1-16-10-21-19(11-23(16)31-12-22(28-14-31)18-6-7-18)26(35)33(15-29-21)24-5-3-4-20(30-24)25-27-8-9-32(25)17(2)13-34;1-5-18-13-30(14-27-18)22-12-19-21(11-17(22)4)28-15-32(25(19)33)23-8-6-7-20(29-23)24-26-9-10-31(24)16(2)3/h2-4,11-17,19-20H,5-10H2,1H3;3-5,8-12,16-20H,6-7,13-15H2,1-2H3;2-4,9-10,13-17,19-20H,5-8,11-12H2,1H3;3-5,8-12,14-15,17-18,34H,6-7,13H2,1-2H3;6-16H,5H2,1-4H3
InChIKeyNRFVFRHIKGZSHL-UHFFFAOYSA-N
MW2451.80 g/mol
LogP22.30
Rot. Bonds29

About 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one

6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one (PubChem CID 159861784) has the molecular formula C137H133F2N35O9 and a molecular weight of 2451.80 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
PubChem CID159861784
Molecular FormulaC137H133F2N35O9
Molecular Weight2451.80 g/mol
Exact Mass2450.10
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one
SMILESCC(C)n1ccnc1-c1cccc(-n2cnc3cc(OCC4COC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCc1cn(-c2cc3c(=O)n(-c4cccc(-c5nccn5C(C)C)n4)cnc3cc2C)cn1.Cc1cc2ncn(-c3cccc(-c4nccn4C(C)CO)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCC(F)(F)CC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCOCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C29H27F2N7O.C29H29N7O3.C28H27N7O2.C26H25N7O2.C25H25N7O/c1-18-13-23-21(14-25(18)36-15-24(33-16-36)19-5-6-19)28(39)38(17-34-23)26-4-2-3-22(35-26)27-32-11-12-37(27)20-7-9-29(30,31)10-8-20;1-18(2)35-9-8-30-28(35)22-4-3-5-27(33-22)36-17-32-23-11-26(39-15-19-13-38-14-19)25(10-21(23)29(36)37)34-12-24(31-16-34)20-6-7-20;1-18-13-23-21(14-25(18)33-15-24(30-16-33)19-5-6-19)28(36)35(17-31-23)26-4-2-3-22(32-26)27-29-9-10-34(27)20-7-11-37-12-8-20;1-16-10-21-19(11-23(16)31-12-22(28-14-31)18-6-7-18)26(35)33(15-29-21)24-5-3-4-20(30-24)25-27-8-9-32(25)17(2)13-34;1-5-18-13-30(14-27-18)22-12-19-21(11-17(22)4)28-15-32(25(19)33)23-8-6-7-20(29-23)24-26-9-10-31(24)16(2)3/h2-4,11-17,19-20H,5-10H2,1H3;3-5,8-12,16-20H,6-7,13-15H2,1-2H3;2-4,9-10,13-17,19-20H,5-8,11-12H2,1H3;3-5,8-12,14-15,17-18,34H,6-7,13H2,1-2H3;6-16H,5H2,1-4H3
InChIKeyNRFVFRHIKGZSHL-UHFFFAOYSA-N
XLogP22.30
TPSA465.02 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.80
LogP ≤ 522.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one (CID 159861784) is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one is CC(C)n1ccnc1-c1cccc(-n2cnc3cc(OCC4COC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCc1cn(-c2cc3c(=O)n(-c4cccc(-c5nccn5C(C)C)n4)cnc3cc2C)cn1.Cc1cc2ncn(-c3cccc(-c4nccn4C(C)CO)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCC(F)(F)CC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nccn4C4CCOCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
The InChIKey is NRFVFRHIKGZSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O.C29H29N7O3.C28H27N7O2.C26H25N7O2.C25H25N7O/c1-18-13-23-21(14-25(18)36-15-24(33-16-36)19-5-6-19)28(39)38(17-34-23)26-4-2-3-22(35-26)27-32-11-12-37(27)20-7-9-29(30,31)10-8-20;1-18(2)35-9-8-30-28(35)22-4-3-5-27(33-22)36-17-32-23-11-26(39-15-19-13-38-14-19)25(10-21(23)29(36)37)34-12-24(31-16-34)20-6-7-20;1-18-13-23-21(14-25(18)33-15-24(30-16-33)19-5-6-19)28(36)35(17-31-23)26-4-2-3-22(32-26)27-29-9-10-34(27)20-7-11-37-12-8-20;1-16-10-21-19(11-23(16)31-12-22(28-14-31)18-6-7-18)26(35)33(15-29-21)24-5-3-4-20(30-24)25-27-8-9-32(25)17(2)13-34;1-5-18-13-30(14-27-18)22-12-19-21(11-17(22)4)28-15-32(25(19)33)23-8-6-7-20(29-23)24-26-9-10-31(24)16(2)3/h2-4,11-17,19-20H,5-10H2,1H3;3-5,8-12,16-20H,6-7,13-15H2,1-2H3;2-4,9-10,13-17,19-20H,5-8,11-12H2,1H3;3-5,8-12,14-15,17-18,34H,6-7,13H2,1-2H3;6-16H,5H2,1-4H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one has a molecular weight of 2451.80 g/mol, XLogP of 22.30, 29 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(oxetan-3-ylmethoxy)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 159861784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).