6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one

C111H109N31O6S — CID 163758514

IUPAC6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)C1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21.O=C(c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1)N1CCOCC1.OC1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21
InChIInChI=1S/C28H28N6O2.C22H22N6O.C21H21N7O.C20H18N6OS.C20H20N6O/c35-28(32-14-16-36-17-15-32)20-5-3-19(4-6-20)24-18-21(9-11-29-24)27-26(30-25-2-1-12-33(25)27)23-10-13-34(31-23)22-7-8-22;1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15;22-21(29)18-14-10-12(3-6-15(14)23-11-24-18)20-19(25-17-2-1-8-27(17)20)16-7-9-28(26-16)13-4-5-13;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;27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3-6,9-11,13,18,22H,1-2,7-8,12,14-17H2;7-9,11-13,15H,2-6,10H2,1H3;3,6-7,9-11,13,18H,1-2,4-5,8H2,(H2,22,29)(H,23,24);4-12H,1-3H3;3,6-7,9-11,13,20,27H,1-2,4-5,8H2,(H,21,22)
InChIKeyLWDMFOUSSTZUCE-UHFFFAOYSA-N
MW2005.37 g/mol
LogP17.13
Rot. Bonds18

About 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one

6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (PubChem CID 163758514) has the molecular formula C111H109N31O6S and a molecular weight of 2005.37 g/mol. Its IUPAC name is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
PubChem CID163758514
Molecular FormulaC111H109N31O6S
Molecular Weight2005.37 g/mol
Exact Mass2003.89
IUPAC Name6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)C1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21.O=C(c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1)N1CCOCC1.OC1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21
InChIInChI=1S/C28H28N6O2.C22H22N6O.C21H21N7O.C20H18N6OS.C20H20N6O/c35-28(32-14-16-36-17-15-32)20-5-3-19(4-6-20)24-18-21(9-11-29-24)27-26(30-25-2-1-12-33(25)27)23-10-13-34(31-23)22-7-8-22;1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15;22-21(29)18-14-10-12(3-6-15(14)23-11-24-18)20-19(25-17-2-1-8-27(17)20)16-7-9-28(26-16)13-4-5-13;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;27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3-6,9-11,13,18,22H,1-2,7-8,12,14-17H2;7-9,11-13,15H,2-6,10H2,1H3;3,6-7,9-11,13,18H,1-2,4-5,8H2,(H2,22,29)(H,23,24);4-12H,1-3H3;3,6-7,9-11,13,20,27H,1-2,4-5,8H2,(H,21,22)
InChIKeyLWDMFOUSSTZUCE-UHFFFAOYSA-N
XLogP17.13
TPSA401.99 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.37
LogP ≤ 517.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (CID 163758514) is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)C1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21.O=C(c1ccc(-c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccn2)cc1)N1CCOCC1.OC1N=CNc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc21.
What is the InChIKey of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The InChIKey is LWDMFOUSSTZUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C22H22N6O.C21H21N7O.C20H18N6OS.C20H20N6O/c35-28(32-14-16-36-17-15-32)20-5-3-19(4-6-20)24-18-21(9-11-29-24)27-26(30-25-2-1-12-33(25)27)23-10-13-34(31-23)22-7-8-22;1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15;22-21(29)18-14-10-12(3-6-15(14)23-11-24-18)20-19(25-17-2-1-8-27(17)20)16-7-9-28(26-16)13-4-5-13;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;27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3-6,9-11,13,18,22H,1-2,7-8,12,14-17H2;7-9,11-13,15H,2-6,10H2,1H3;3,6-7,9-11,13,18H,1-2,4-5,8H2,(H2,22,29)(H,23,24);4-12H,1-3H3;3,6-7,9-11,13,20,27H,1-2,4-5,8H2,(H,21,22).
What are the key properties of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one has a molecular weight of 2005.37 g/mol, XLogP of 17.13, 18 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazoline-4-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,4-dihydroquinazolin-4-ol;[4-[4-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]phenyl]-morpholin-4-ylmethanone;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 163758514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).