6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine

C26H21ClN4 — CID 118272406

IUPAC6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C26H21ClN4/c1-28-25-22-18-29-24(27)17-23(22)31(30-25)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3,(H,28,30)
InChIKeyUBBFRNDUMXFLQI-UHFFFAOYSA-N
MW424.94 g/mol
LogP5.97
Rot. Bonds5

About 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine

6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine (PubChem CID 118272406) has the molecular formula C26H21ClN4 and a molecular weight of 424.94 g/mol. Its IUPAC name is 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
PubChem CID118272406
Molecular FormulaC26H21ClN4
Molecular Weight424.94 g/mol
Exact Mass424.15
IUPAC Name6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C26H21ClN4/c1-28-25-22-18-29-24(27)17-23(22)31(30-25)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3,(H,28,30)
InChIKeyUBBFRNDUMXFLQI-UHFFFAOYSA-N
XLogP5.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.94
LogP ≤ 55.97
H-Bond Donors ≤ 51
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

6-chloro-N-(1,1,1-trifluoropropan-2-yl)-1-tritylpyrazolo[4,3-c]pyridin-3-amine;methane
CID 158560990
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 161440732
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272494
6-chloro-3-(trifluoromethylsulfanyl)-1-tritylpyrazolo[4,3-c]pyridine
CID 118271805
5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 170248197
5-(2-chloro-6-fluorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 169208454
carbanide;6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methylsulfanyl-1-tritylpyrazolo[4,3-c]pyridine;copper(1+);2-pyridin-2-ylpyridine
CID 160512327
[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
CID 170248340
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylindazol-3-amine
CID 174124984
6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one
CID 118272301
tert-butyl 4-[3-(methylamino)-1-tritylindazol-5-yl]pyrazole-1-carboxylate
CID 170248462
6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine (CID 118272406) is 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine is CNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is UBBFRNDUMXFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4/c1-28-25-22-18-29-24(27)17-23(22)31(30-25)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3,(H,28,30).
What are the key properties of 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine?
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 424.94 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 118272406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).