7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole

C26H24F2N4O — CID 136962031

IUPAC7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
SMILESCC(C)c1ccc(COc2cc(F)c(-c3c(-c4ccncc4)nn4c3NCC4)cc2F)cc1
InChIInChI=1S/C26H24F2N4O/c1-16(2)18-5-3-17(4-6-18)15-33-23-14-21(27)20(13-22(23)28)24-25(19-7-9-29-10-8-19)31-32-12-11-30-26(24)32/h3-10,13-14,16,30H,11-12,15H2,1-2H3
InChIKeyCFRYWKJKBFHQRF-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.02
Rot. Bonds6

About 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole

7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole (PubChem CID 136962031) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
PubChem CID136962031
Molecular FormulaC26H24F2N4O
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
SMILESCC(C)c1ccc(COc2cc(F)c(-c3c(-c4ccncc4)nn4c3NCC4)cc2F)cc1
InChIInChI=1S/C26H24F2N4O/c1-16(2)18-5-3-17(4-6-18)15-33-23-14-21(27)20(13-22(23)28)24-25(19-7-9-29-10-8-19)31-32-12-11-30-26(24)32/h3-10,13-14,16,30H,11-12,15H2,1-2H3
InChIKeyCFRYWKJKBFHQRF-UHFFFAOYSA-N
XLogP6.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole?
The IUPAC name of 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole (CID 136962031) is 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole?
The canonical SMILES for 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole is CC(C)c1ccc(COc2cc(F)c(-c3c(-c4ccncc4)nn4c3NCC4)cc2F)cc1.
What is the InChIKey of 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole?
The InChIKey is CFRYWKJKBFHQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c1-16(2)18-5-3-17(4-6-18)15-33-23-14-21(27)20(13-22(23)28)24-25(19-7-9-29-10-8-19)31-32-12-11-30-26(24)32/h3-10,13-14,16,30H,11-12,15H2,1-2H3.
What are the key properties of 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole?
7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole has a molecular weight of 446.50 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,5-difluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole is sourced from PubChem (CID 136962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).