[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid

C23H23F3N6O3 — CID 134497008

IUPAC[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid
SMILESCCOc1cc(-c2ccc(N3C[C@H](N(C)C(=O)O)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23F3N6O3/c1-3-35-18-7-19(21-15(8-27)10-29-32(21)13-18)14-4-5-20(28-9-14)31-11-16(23(24,25)26)6-17(12-31)30(2)22(33)34/h4-5,7,9-10,13,16-17H,3,6,11-12H2,1-2H3,(H,33,34)/t16-,17+/m0/s1
InChIKeyHRZAAXLIMZGYJO-DLBZAZTESA-N
MW488.47 g/mol
LogP4.03
Rot. Bonds5

About [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid

[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid (PubChem CID 134497008) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid
PubChem CID134497008
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC Name[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid
SMILESCCOc1cc(-c2ccc(N3C[C@H](N(C)C(=O)O)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23F3N6O3/c1-3-35-18-7-19(21-15(8-27)10-29-32(21)13-18)14-4-5-20(28-9-14)31-11-16(23(24,25)26)6-17(12-31)30(2)22(33)34/h4-5,7,9-10,13,16-17H,3,6,11-12H2,1-2H3,(H,33,34)/t16-,17+/m0/s1
InChIKeyHRZAAXLIMZGYJO-DLBZAZTESA-N
XLogP4.03
TPSA106.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 134496025
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 134496039
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methylpiperidin-3-yl]prop-2-ynamide
CID 146667096
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436551

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid?
The IUPAC name of [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid (CID 134497008) is [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid is CCOc1cc(-c2ccc(N3C[C@H](N(C)C(=O)O)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid?
The InChIKey is HRZAAXLIMZGYJO-DLBZAZTESA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-3-35-18-7-19(21-15(8-27)10-29-32(21)13-18)14-4-5-20(28-9-14)31-11-16(23(24,25)26)6-17(12-31)30(2)22(33)34/h4-5,7,9-10,13,16-17H,3,6,11-12H2,1-2H3,(H,33,34)/t16-,17+/m0/s1.
What are the key properties of [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid?
[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid has a molecular weight of 488.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 134497008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).