6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C118H125N33O9 — CID 163418750

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCOCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C26H29N7O2.C26H31N7O2.C26H31N7O.C20H16N6O2.C20H18N6O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19;1-18(2)33-9-7-22(29-33)24-25(32-8-3-4-23(32)28-24)19-5-6-21-20(16-19)26(34)31(17-27-21)11-10-30-12-14-35-15-13-30;1-18(2)33-13-9-22(29-33)24-25(32-12-5-6-23(32)28-24)19-7-8-21-20(16-19)26(34)31(17-27-21)15-14-30-10-3-4-11-30;1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13;1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2;5-7,9,16-18H,3-4,8,10-15H2,1-2H3;7-9,13,16-18H,3-6,10-12,14-15H2,1-2H3;2,5-11,13H,3-4H2,1H3;4-12H,1-3H3
InChIKeyAGQYXOYBGBNZAQ-UHFFFAOYSA-N
MW2149.52 g/mol
LogP15.79
Rot. Bonds24

About 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 163418750) has the molecular formula C118H125N33O9 and a molecular weight of 2149.52 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID163418750
Molecular FormulaC118H125N33O9
Molecular Weight2149.52 g/mol
Exact Mass2148.03
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCOCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C26H29N7O2.C26H31N7O2.C26H31N7O.C20H16N6O2.C20H18N6O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19;1-18(2)33-9-7-22(29-33)24-25(32-8-3-4-23(32)28-24)19-5-6-21-20(16-19)26(34)31(17-27-21)11-10-30-12-14-35-15-13-30;1-18(2)33-13-9-22(29-33)24-25(32-12-5-6-23(32)28-24)19-7-8-21-20(16-19)26(34)31(17-27-21)15-14-30-10-3-4-11-30;1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13;1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2;5-7,9,16-18H,3-4,8,10-15H2,1-2H3;7-9,13,16-18H,3-6,10-12,14-15H2,1-2H3;2,5-11,13H,3-4H2,1H3;4-12H,1-3H3
InChIKeyAGQYXOYBGBNZAQ-UHFFFAOYSA-N
XLogP15.79
TPSA406.07 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002149.52
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 163418750) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCOCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is AGQYXOYBGBNZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2.C26H31N7O2.C26H31N7O.C20H16N6O2.C20H18N6O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19;1-18(2)33-9-7-22(29-33)24-25(32-8-3-4-23(32)28-24)19-5-6-21-20(16-19)26(34)31(17-27-21)11-10-30-12-14-35-15-13-30;1-18(2)33-13-9-22(29-33)24-25(32-12-5-6-23(32)28-24)19-7-8-21-20(16-19)26(34)31(17-27-21)15-14-30-10-3-4-11-30;1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13;1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2;5-7,9,16-18H,3-4,8,10-15H2,1-2H3;7-9,13,16-18H,3-6,10-12,14-15H2,1-2H3;2,5-11,13H,3-4H2,1H3;4-12H,1-3H3.
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 2149.52 g/mol, XLogP of 15.79, 24 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 163418750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).