5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C28H25ClFN5 — CID 142488539

IUPAC5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cl)cnc1N1CCc2nn(-c3c(C)cccc3C)c(-c3cc4cc[nH]c4cc3F)c2C1
InChIInChI=1S/C28H25ClFN5/c1-16-5-4-6-17(2)26(16)35-27(21-12-19-7-9-31-25(19)13-23(21)30)22-15-34(10-8-24(22)33-35)28-18(3)11-20(29)14-32-28/h4-7,9,11-14,31H,8,10,15H2,1-3H3
InChIKeyDTMLACZIABHTEE-UHFFFAOYSA-N
MW485.99 g/mol
LogP6.70
Rot. Bonds3

About 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 142488539) has the molecular formula C28H25ClFN5 and a molecular weight of 485.99 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID142488539
Molecular FormulaC28H25ClFN5
Molecular Weight485.99 g/mol
Exact Mass485.18
IUPAC Name5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(Cl)cnc1N1CCc2nn(-c3c(C)cccc3C)c(-c3cc4cc[nH]c4cc3F)c2C1
InChIInChI=1S/C28H25ClFN5/c1-16-5-4-6-17(2)26(16)35-27(21-12-19-7-9-31-25(19)13-23(21)30)22-15-34(10-8-24(22)33-35)28-18(3)11-20(29)14-32-28/h4-7,9,11-14,31H,8,10,15H2,1-3H3
InChIKeyDTMLACZIABHTEE-UHFFFAOYSA-N
XLogP6.70
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.99
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 142488539) is 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cc(Cl)cnc1N1CCc2nn(-c3c(C)cccc3C)c(-c3cc4cc[nH]c4cc3F)c2C1.
What is the InChIKey of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is DTMLACZIABHTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN5/c1-16-5-4-6-17(2)26(16)35-27(21-12-19-7-9-31-25(19)13-23(21)30)22-15-34(10-8-24(22)33-35)28-18(3)11-20(29)14-32-28/h4-7,9,11-14,31H,8,10,15H2,1-3H3.
What are the key properties of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 485.99 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 142488539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).