5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H19ClFN7O — CID 170075358

IUPAC5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2nc(NCc3cc(Cl)ccc3F)cc2-c2ccn3ncc(C(N)=O)c3c2)n1
InChIInChI=1S/C24H19ClFN7O/c1-14-3-2-4-23(30-14)33-20(15-7-8-32-21(10-15)18(13-29-32)24(27)34)11-22(31-33)28-12-16-9-17(25)5-6-19(16)26/h2-11,13H,12H2,1H3,(H2,27,34)(H,28,31)
InChIKeyVBOIMNXJJMVZIR-UHFFFAOYSA-N
MW475.92 g/mol
LogP4.39
Rot. Bonds6

About 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170075358) has the molecular formula C24H19ClFN7O and a molecular weight of 475.92 g/mol. Its IUPAC name is 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170075358
Molecular FormulaC24H19ClFN7O
Molecular Weight475.92 g/mol
Exact Mass475.13
IUPAC Name5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccc(-n2nc(NCc3cc(Cl)ccc3F)cc2-c2ccn3ncc(C(N)=O)c3c2)n1
InChIInChI=1S/C24H19ClFN7O/c1-14-3-2-4-23(30-14)33-20(15-7-8-32-21(10-15)18(13-29-32)24(27)34)11-22(31-33)28-12-16-9-17(25)5-6-19(16)26/h2-11,13H,12H2,1H3,(H2,27,34)(H,28,31)
InChIKeyVBOIMNXJJMVZIR-UHFFFAOYSA-N
XLogP4.39
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170075358) is 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cccc(-n2nc(NCc3cc(Cl)ccc3F)cc2-c2ccn3ncc(C(N)=O)c3c2)n1.
What is the InChIKey of 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VBOIMNXJJMVZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN7O/c1-14-3-2-4-23(30-14)33-20(15-7-8-32-21(10-15)18(13-29-32)24(27)34)11-22(31-33)28-12-16-9-17(25)5-6-19(16)26/h2-11,13H,12H2,1H3,(H2,27,34)(H,28,31).
What are the key properties of 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 475.92 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170075358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).