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

C19H13F3N4 — CID 122597988

IUPAC6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn3c(c2-c2ccc4nccn4c2)CCC3)c(F)c1F
InChIInChI=1S/C19H13F3N4/c20-13-5-4-12(17(21)18(13)22)19-16(14-2-1-8-26(14)24-19)11-3-6-15-23-7-9-25(15)10-11/h3-7,9-10H,1-2,8H2
InChIKeyDJDMJZAPSKQJNS-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.23
Rot. Bonds2

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

6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 122597988) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID122597988
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn3c(c2-c2ccc4nccn4c2)CCC3)c(F)c1F
InChIInChI=1S/C19H13F3N4/c20-13-5-4-12(17(21)18(13)22)19-16(14-2-1-8-26(14)24-19)11-3-6-15-23-7-9-25(15)10-11/h3-7,9-10H,1-2,8H2
InChIKeyDJDMJZAPSKQJNS-UHFFFAOYSA-N
XLogP4.23
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121349978
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350007
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350131
6-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590020
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
6-[2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1,3-benzothiazole
CID 122589974
2-[2-(2,4-difluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122589962
6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590004
7-imidazo[1,2-a]pyridin-6-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
CID 122598241
6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
CID 122590119
6-[5-(3,4-difluorophenyl)-1H-imidazol-4-yl]imidazo[1,2-a]pyridine
CID 122510502
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine (CID 122597988) is 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine is Fc1ccc(-c2nn3c(c2-c2ccc4nccn4c2)CCC3)c(F)c1F.
What is the InChIKey of 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is DJDMJZAPSKQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-13-5-4-12(17(21)18(13)22)19-16(14-2-1-8-26(14)24-19)11-3-6-15-23-7-9-25(15)10-11/h3-7,9-10H,1-2,8H2.
What are the key properties of 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine?
6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 354.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122597988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).