6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

C78H70N26O4S2 — CID 163462618

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4nc[nH]c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncc(C(N)=O)n3c2)n1.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cn12.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C20H18N6O.C20H20N6O.C19H15N7OS.C19H17N7OS/c27-20-14-10-12(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;1-12(2)26-9-7-16(24-26)18-19(25-8-3-4-17(25)23-18)13-5-6-15-14(10-13)20(27)22-11-21-15;20-18(27)14-9-21-15-4-1-11(10-25(14)15)17-16(22-19-24(17)7-8-28-19)13-5-6-26(23-13)12-2-3-12;1-11(2)26-6-5-13(23-26)16-17(24-7-8-28-19(24)22-16)12-3-4-15-21-9-14(18(20)27)25(15)10-12/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);5-7,9-12H,3-4,8H2,1-2H3,(H,21,22,27);1,4-10,12H,2-3H2,(H2,20,27);3-11H,1-2H3,(H2,20,27)
InChIKeyBPWUTHBBROJSPP-UHFFFAOYSA-N
MW1499.73 g/mol
LogP12.37
Rot. Bonds14

About 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-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]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163462618) has the molecular formula C78H70N26O4S2 and a molecular weight of 1499.73 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163462618
Molecular FormulaC78H70N26O4S2
Molecular Weight1499.73 g/mol
Exact Mass1498.55
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4nc[nH]c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncc(C(N)=O)n3c2)n1.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cn12.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C20H18N6O.C20H20N6O.C19H15N7OS.C19H17N7OS/c27-20-14-10-12(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;1-12(2)26-9-7-16(24-26)18-19(25-8-3-4-17(25)23-18)13-5-6-15-14(10-13)20(27)22-11-21-15;20-18(27)14-9-21-15-4-1-11(10-25(14)15)17-16(22-19-24(17)7-8-28-19)13-5-6-26(23-13)12-2-3-12;1-11(2)26-6-5-13(23-26)16-17(24-7-8-28-19(24)22-16)12-3-4-15-21-9-14(18(20)27)25(15)10-12/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);5-7,9-12H,3-4,8H2,1-2H3,(H,21,22,27);1,4-10,12H,2-3H2,(H2,20,27);3-11H,1-2H3,(H2,20,27)
InChIKeyBPWUTHBBROJSPP-UHFFFAOYSA-N
XLogP12.37
TPSA353.80 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001499.73
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(2-((2S,4R)-4-fluoro-2-(4-(6-methylimidazo[2,1-b]thiazol-5-yl)thiazol-2-ylcarbamoyl) pyrrolidin-1-yl)-2-oxoethyl)-5-(pyridazin-4-yl)-1H-indazole-3-carboxamide
CID 118323554
US9796741, cmp No. 57
CID 118323657
1-[2-[4-Fluoro-2-[[3-methyl-1-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334358
1-[2-[4-Fluoro-2-[[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334460
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 123867759
1-[2-[(2S,4R)-4-fluoro-2-[[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
CID 138525591
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[1-[1-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505655
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156506017
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[7-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-4-azaspiro[2.5]octan-4-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515597
[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 167706720
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[1-[1-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]methylamino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 169678982
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[[2-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]amino]ethylamino]acetyl]amino]ethylamino]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 169679038

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]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 163462618) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)n1ccc(-c2nc3n(c2-c2ccc4nc[nH]c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncc(C(N)=O)n3c2)n1.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cn12.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BPWUTHBBROJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C20H20N6O.C19H15N7OS.C19H17N7OS/c27-20-14-10-12(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;1-12(2)26-9-7-16(24-26)18-19(25-8-3-4-17(25)23-18)13-5-6-15-14(10-13)20(27)22-11-21-15;20-18(27)14-9-21-15-4-1-11(10-25(14)15)17-16(22-19-24(17)7-8-28-19)13-5-6-26(23-13)12-2-3-12;1-11(2)26-6-5-13(23-26)16-17(24-7-8-28-19(24)22-16)12-3-4-15-21-9-14(18(20)27)25(15)10-12/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);5-7,9-12H,3-4,8H2,1-2H3,(H,21,22,27);1,4-10,12H,2-3H2,(H2,20,27);3-11H,1-2H3,(H2,20,27).
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-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]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 1499.73 g/mol, XLogP of 12.37, 14 rotatable bonds, 4 hydrogen bond donors, and 28 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]-3H-quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).