6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H23F3N6O — CID 134436369

IUPAC6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](NC)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H23F3N6O/c1-3-32-18-7-19(21-15(8-26)10-29-31(21)13-18)14-4-5-20(28-9-14)30-11-16(22(23,24)25)6-17(12-30)27-2/h4-5,7,9-10,13,16-17,27H,3,6,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyJWBAWTHVZAOIDR-DLBZAZTESA-N
MW444.46 g/mol
LogP3.64
Rot. Bonds5

About 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436369) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436369
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](NC)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H23F3N6O/c1-3-32-18-7-19(21-15(8-26)10-29-31(21)13-18)14-4-5-20(28-9-14)30-11-16(22(23,24)25)6-17(12-30)27-2/h4-5,7,9-10,13,16-17,27H,3,6,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyJWBAWTHVZAOIDR-DLBZAZTESA-N
XLogP3.64
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436369) is 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H](NC)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JWBAWTHVZAOIDR-DLBZAZTESA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-3-32-18-7-19(21-15(8-26)10-29-31(21)13-18)14-4-5-20(28-9-14)30-11-16(22(23,24)25)6-17(12-30)27-2/h4-5,7,9-10,13,16-17,27H,3,6,11-12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 444.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[(3R,5S)-3-(methylamino)-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).