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

C26H24F2N6O — CID 158092590

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CF)CC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24F2N6O/c1-15-9-20(28)19(10-23(15)33-13-22(30-14-33)16-5-6-16)26(35)32-24-4-2-3-21(31-24)25-29-12-18-8-7-17(11-27)34(18)25/h2-4,9-10,12-14,16-17H,5-8,11H2,1H3,(H,31,32,35)/t17-/m0/s1
InChIKeyLSLGCIMVPDWKNQ-KRWDZBQOSA-N
MW474.52 g/mol
LogP5.16
Rot. Bonds6

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

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 158092590) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID158092590
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CF)CC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24F2N6O/c1-15-9-20(28)19(10-23(15)33-13-22(30-14-33)16-5-6-16)26(35)32-24-4-2-3-21(31-24)25-29-12-18-8-7-17(11-27)34(18)25/h2-4,9-10,12-14,16-17H,5-8,11H2,1H3,(H,31,32,35)/t17-/m0/s1
InChIKeyLSLGCIMVPDWKNQ-KRWDZBQOSA-N
XLogP5.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.16
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)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide (CID 158092590) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@H](CF)CC4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is LSLGCIMVPDWKNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-15-9-20(28)19(10-23(15)33-13-22(30-14-33)16-5-6-16)26(35)32-24-4-2-3-21(31-24)25-29-12-18-8-7-17(11-27)34(18)25/h2-4,9-10,12-14,16-17H,5-8,11H2,1H3,(H,31,32,35)/t17-/m0/s1.
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 474.52 g/mol, XLogP of 5.16, 6 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)-2-fluoro-N-[6-[(5S)-5-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 158092590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).