6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide

C87H71N27O7 — CID 163554611

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccnc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12
InChIInChI=1S/3C22H17N7O2.C21H20N6O/c23-18(30)6-4-14-15(3-5-16-19(14)25-9-8-24-16)21-20(26-22-28(21)11-12-31-22)17-7-10-29(27-17)13-1-2-13;2*23-19(30)6-4-14-15(3-5-17-16(14)11-24-12-25-17)21-20(26-22-28(21)9-10-31-22)18-7-8-29(27-18)13-1-2-13;1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h3*3-13H,1-2H2,(H2,23,30);4,7-8,10-12,14H,2-3,5-6,9H2,1H3/b3*6-4+;
InChIKeyFLYJMIOKYHOMTF-VSBSIAEVSA-N
MW1606.71 g/mol
LogP12.64
Rot. Bonds18

About 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide (PubChem CID 163554611) has the molecular formula C87H71N27O7 and a molecular weight of 1606.71 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide
PubChem CID163554611
Molecular FormulaC87H71N27O7
Molecular Weight1606.71 g/mol
Exact Mass1605.60
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccnc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12
InChIInChI=1S/3C22H17N7O2.C21H20N6O/c23-18(30)6-4-14-15(3-5-16-19(14)25-9-8-24-16)21-20(26-22-28(21)11-12-31-22)17-7-10-29(27-17)13-1-2-13;2*23-19(30)6-4-14-15(3-5-17-16(14)11-24-12-25-17)21-20(26-22-28(21)9-10-31-22)18-7-8-29(27-18)13-1-2-13;1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h3*3-13H,1-2H2,(H2,23,30);4,7-8,10-12,14H,2-3,5-6,9H2,1H3/b3*6-4+;
InChIKeyFLYJMIOKYHOMTF-VSBSIAEVSA-N
XLogP12.64
TPSA421.92 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.71
LogP ≤ 512.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide with MolForge

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Related Compounds

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrrolo[1,2-a]imidazol-2-yl)methanone;cinnolin-4-yl-[(2S)-2-[3-methyl-2-[(3S)-3-methylpyrrolidin-1-yl]pyrrolo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 162287371
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrrolo[1,2-a]imidazol-2-yl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 162287427
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
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;3-methyl-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
CID 163587598
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
CID 163716177
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)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-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 163735281
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methanol
CID 163795850
bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 163820592
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline;7-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline-2-carboxamide;6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 163914522
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one;3-(2-morpholin-4-ylethyl)-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-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
CID 164114728
6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;7-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]quinoxaline-2-carboxamide;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline
CID 164147833
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-(1-cyclopropylpyrazol-3-yl)-5-imidazo[1,2-a]pyridin-6-ylimidazo[2,1-b][1,3]oxazole;5-imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164151464

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-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide (CID 163554611) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccnc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12.NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncncc12.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide?
The InChIKey is FLYJMIOKYHOMTF-VSBSIAEVSA-N. The full InChI is InChI=1S/3C22H17N7O2.C21H20N6O/c23-18(30)6-4-14-15(3-5-16-19(14)25-9-8-24-16)21-20(26-22-28(21)11-12-31-22)17-7-10-29(27-17)13-1-2-13;2*23-19(30)6-4-14-15(3-5-17-16(14)11-24-12-25-17)21-20(26-22-28(21)9-10-31-22)18-7-8-29(27-18)13-1-2-13;1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h3*3-13H,1-2H2,(H2,23,30);4,7-8,10-12,14H,2-3,5-6,9H2,1H3/b3*6-4+;.
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide has a molecular weight of 1606.71 g/mol, XLogP of 12.64, 18 rotatable bonds, 3 hydrogen bond donors, and 31 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-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide is sourced from PubChem (CID 163554611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).