6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine

C31H22ClFN4 — CID 118169000

IUPAC6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
SMILESCc1nc(Cl)cc2c1c(-c1ccnc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22ClFN4/c1-21-29-26(20-27(32)35-21)37(36-30(29)22-17-18-34-28(33)19-22)31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeySMLMGVHFFWQWEB-UHFFFAOYSA-N
MW505.00 g/mol
LogP7.43
Rot. Bonds5

About 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine

6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 118169000) has the molecular formula C31H22ClFN4 and a molecular weight of 505.00 g/mol. Its IUPAC name is 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID118169000
Molecular FormulaC31H22ClFN4
Molecular Weight505.00 g/mol
Exact Mass504.15
IUPAC Name6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
SMILESCc1nc(Cl)cc2c1c(-c1ccnc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22ClFN4/c1-21-29-26(20-27(32)35-21)37(36-30(29)22-17-18-34-28(33)19-22)31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeySMLMGVHFFWQWEB-UHFFFAOYSA-N
XLogP7.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.00
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Nerispirdine
CID 3081185
Fauc 113
CID 10404144
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
Nerispirdine hydrochloride
CID 9818503
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine (CID 118169000) is 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine is Cc1nc(Cl)cc2c1c(-c1ccnc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is SMLMGVHFFWQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClFN4/c1-21-29-26(20-27(32)35-21)37(36-30(29)22-17-18-34-28(33)19-22)31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3.
What are the key properties of 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine?
6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 505.00 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluoro-4-pyridinyl)-4-methyl-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118169000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).