5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

C25H23FN6O — CID 160540581

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H23FN6O/c1-15-10-19(26)18(11-22(15)31-13-21(28-14-31)16-7-8-16)25(33)30-23-6-2-5-20(29-23)24-27-12-17-4-3-9-32(17)24/h2,5-6,10-14,16H,3-4,7-9H2,1H3,(H,29,30,33)
InChIKeyXTJAFEFJUDRVNK-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.65
Rot. Bonds5

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (PubChem CID 160540581) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
PubChem CID160540581
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H23FN6O/c1-15-10-19(26)18(11-22(15)31-13-21(28-14-31)16-7-8-16)25(33)30-23-6-2-5-20(29-23)24-27-12-17-4-3-9-32(17)24/h2,5-6,10-14,16H,3-4,7-9H2,1H3,(H,29,30,33)
InChIKeyXTJAFEFJUDRVNK-UHFFFAOYSA-N
XLogP4.65
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (CID 160540581) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The InChIKey is XTJAFEFJUDRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-15-10-19(26)18(11-22(15)31-13-21(28-14-31)16-7-8-16)25(33)30-23-6-2-5-20(29-23)24-27-12-17-4-3-9-32(17)24/h2,5-6,10-14,16H,3-4,7-9H2,1H3,(H,29,30,33).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide has a molecular weight of 442.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 160540581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).