8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine

C20H16F2N4 — CID 122589991

IUPAC8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nn3c(c2-c2cccn4ccnc24)CCC3)c(F)cc1F
InChIInChI=1S/C20H16F2N4/c1-12-10-14(16(22)11-15(12)21)19-18(17-5-3-8-26(17)24-19)13-4-2-7-25-9-6-23-20(13)25/h2,4,6-7,9-11H,3,5,8H2,1H3
InChIKeyHDUDYQVBBORKIS-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.40
Rot. Bonds2

About 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine

8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 122589991) has the molecular formula C20H16F2N4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID122589991
Molecular FormulaC20H16F2N4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nn3c(c2-c2cccn4ccnc24)CCC3)c(F)cc1F
InChIInChI=1S/C20H16F2N4/c1-12-10-14(16(22)11-15(12)21)19-18(17-5-3-8-26(17)24-19)13-4-2-7-25-9-6-23-20(13)25/h2,4,6-7,9-11H,3,5,8H2,1H3
InChIKeyHDUDYQVBBORKIS-UHFFFAOYSA-N
XLogP4.40
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine (CID 122589991) is 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine is Cc1cc(-c2nn3c(c2-c2cccn4ccnc24)CCC3)c(F)cc1F.
What is the InChIKey of 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is HDUDYQVBBORKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4/c1-12-10-14(16(22)11-15(12)21)19-18(17-5-3-8-26(17)24-19)13-4-2-7-25-9-6-23-20(13)25/h2,4,6-7,9-11H,3,5,8H2,1H3.
What are the key properties of 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 350.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,4-difluoro-5-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122589991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).