N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H26FN5O — CID 90095391

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/C27H26FN5O/c1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32/h2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34)
InChIKeyLXONKRYGXFOPEX-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.33
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90095391) has the molecular formula C27H26FN5O and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90095391
Molecular FormulaC27H26FN5O
Molecular Weight455.54 g/mol
Exact Mass455.21
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CN5CCC4CC5)c3c2)ccc1F
InChIInChI=1S/C27H26FN5O/c1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32/h2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34)
InChIKeyLXONKRYGXFOPEX-UHFFFAOYSA-N
XLogP4.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 49837887
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CID 21252903
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CID 71283495
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CID 117769244
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CID 165415060
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(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90095391) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CN5CCC4CC5)c3c2)ccc1F.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LXONKRYGXFOPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O/c1-17-13-20(4-5-23(17)28)26-21(3-2-9-29-26)19-8-12-33-25(14-19)22(15-30-33)27(34)31-24-16-32-10-6-18(24)7-11-32/h2-5,8-9,12-15,18,24H,6-7,10-11,16H2,1H3,(H,31,34).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).