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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one

C40H35N13O2S — CID 163711241

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc2c1=O.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cn12
InChIInChI=1S/C20H19N7O.C20H16N6OS/c21-20(28)15-10-22-16-6-3-12(11-26(15)16)19-18(23-17-2-1-8-25(17)19)14-7-9-27(24-14)13-4-5-13;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/h3,6-7,9-11,13H,1-2,4-5,8H2,(H2,21,28);2,5-11,13H,3-4H2,1H3
InChIKeyKJJZIUUEWQDTCK-UHFFFAOYSA-N
MW761.88 g/mol
LogP5.95
Rot. Bonds7

About 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one

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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one (PubChem CID 163711241) has the molecular formula C40H35N13O2S and a molecular weight of 761.88 g/mol. Its IUPAC name is 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one
PubChem CID163711241
Molecular FormulaC40H35N13O2S
Molecular Weight761.88 g/mol
Exact Mass761.28
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc2c1=O.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cn12
InChIInChI=1S/C20H19N7O.C20H16N6OS/c21-20(28)15-10-22-16-6-3-12(11-26(15)16)19-18(23-17-2-1-8-25(17)19)14-7-9-27(24-14)13-4-5-13;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/h3,6-7,9-11,13H,1-2,4-5,8H2,(H2,21,28);2,5-11,13H,3-4H2,1H3
InChIKeyKJJZIUUEWQDTCK-UHFFFAOYSA-N
XLogP5.95
TPSA166.04 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.88
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469619
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-imidazol-1-yl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334430
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-[4-fluoro-2-[[4-(6-methyl-7H-imidazo[1,2-a]imidazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 137434869
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
6-[6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one
CID 146404919
6-[6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide
CID 146405027
3-Methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
CID 146407955

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]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one?
The IUPAC name of 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one (CID 163711241) is 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-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]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc2c1=O.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cn12.
What is the InChIKey of 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one?
The InChIKey is KJJZIUUEWQDTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O.C20H16N6OS/c21-20(28)15-10-22-16-6-3-12(11-26(15)16)19-18(23-17-2-1-8-25(17)19)14-7-9-27(24-14)13-4-5-13;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/h3,6-7,9-11,13H,1-2,4-5,8H2,(H2,21,28);2,5-11,13H,3-4H2,1H3.
What are the key properties of 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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one?
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-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one has a molecular weight of 761.88 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 15 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]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 163711241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).