6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine

C29H22ClN5 — CID 123816670

IUPAC6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2n[nH]c3cc(Cl)nc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c23)cn1
InChIInChI=1S/C29H22ClN5/c1-35-19-20(18-31-35)27-26-24(33-34-27)17-25(30)32-28(26)29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3,(H,33,34)
InChIKeyOYEJOWBIJZMPCY-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.39
Rot. Bonds5

About 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine

6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine (PubChem CID 123816670) has the molecular formula C29H22ClN5 and a molecular weight of 475.98 g/mol. Its IUPAC name is 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine
PubChem CID123816670
Molecular FormulaC29H22ClN5
Molecular Weight475.98 g/mol
Exact Mass475.16
IUPAC Name6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine
SMILESCn1cc(-c2n[nH]c3cc(Cl)nc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c23)cn1
InChIInChI=1S/C29H22ClN5/c1-35-19-20(18-31-35)27-26-24(33-34-27)17-25(30)32-28(26)29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3,(H,33,34)
InChIKeyOYEJOWBIJZMPCY-UHFFFAOYSA-N
XLogP6.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.39
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'}

Analyze 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 16718996
7-chloro-N-[3-(diethylaminomethyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 16718998
7-chloro-N-[2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 16718999
4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037400
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine (CID 123816670) is 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine is Cn1cc(-c2n[nH]c3cc(Cl)nc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c23)cn1.
What is the InChIKey of 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OYEJOWBIJZMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN5/c1-35-19-20(18-31-35)27-26-24(33-34-27)17-25(30)32-28(26)29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3,(H,33,34).
What are the key properties of 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 475.98 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 123816670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).