2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C20H20N6OS — CID 170185329

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1ccc2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)nc2c1
InChIInChI=1S/C20H20N6OS/c1-2-13-5-6-14-11-26(24-15(14)10-13)18(19(27)23-20-21-7-9-28-20)17-16-4-3-8-25(16)12-22-17/h5-7,9-12,18H,2-4,8H2,1H3,(H,21,23,27)
InChIKeyNRGOYIJONYVWMM-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.43
Rot. Bonds5

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 170185329) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID170185329
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1ccc2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)nc2c1
InChIInChI=1S/C20H20N6OS/c1-2-13-5-6-14-11-26(24-15(14)10-13)18(19(27)23-20-21-7-9-28-20)17-16-4-3-8-25(16)12-22-17/h5-7,9-12,18H,2-4,8H2,1H3,(H,21,23,27)
InChIKeyNRGOYIJONYVWMM-UHFFFAOYSA-N
XLogP3.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(5-ethyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 170185332
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 156798559
2-[7-chloro-4-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155412866
tert-butyl 4-[4-[5-[2-[(1R)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-7-fluoroindazol-6-yl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 175796998
(2R)-2-(6-hydroxyindazol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 175779663
2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methylindazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 163388540
2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 175217337
2-[6-[4-[4-[2-(1-cyclooctyl-4-hydroxypiperidin-4-yl)acetyl]piperazin-1-yl]phenyl]-7-fluoroindazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 156515983
2-[6-[4-[(3aR,6aS)-2-(2-fluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-4-(difluoromethyl)-7-methylindazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 174168445
2-[7-chloro-3-oxo-5-[2-[4-(piperidin-1-ylmethyl)phenyl]ethynyl]-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 150035184
2-(5-bromo-7-fluoro-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 153380873
(2R)-2-(7-chloro-5-iodo-3-oxo-1H-isoindol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 175753226

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 170185329) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is CCc1ccc2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)nc2c1.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NRGOYIJONYVWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-2-13-5-6-14-11-26(24-15(14)10-13)18(19(27)23-20-21-7-9-28-20)17-16-4-3-8-25(16)12-22-17/h5-7,9-12,18H,2-4,8H2,1H3,(H,21,23,27).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 392.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(6-ethylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 170185329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).