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

C21H21F3N6O — CID 134434744

IUPAC4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](N)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C21H21F3N6O/c1-2-31-17-6-18(20-14(7-25)9-28-30(20)12-17)13-3-4-19(27-8-13)29-10-15(21(22,23)24)5-16(26)11-29/h3-4,6,8-9,12,15-16H,2,5,10-11,26H2,1H3/t15-,16+/m0/s1
InChIKeyKXJWVHOMRIJOPA-JKSUJKDBSA-N
MW430.43 g/mol
LogP3.38
Rot. Bonds4

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

4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434744) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434744
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3C[C@H](N)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C21H21F3N6O/c1-2-31-17-6-18(20-14(7-25)9-28-30(20)12-17)13-3-4-19(27-8-13)29-10-15(21(22,23)24)5-16(26)11-29/h3-4,6,8-9,12,15-16H,2,5,10-11,26H2,1H3/t15-,16+/m0/s1
InChIKeyKXJWVHOMRIJOPA-JKSUJKDBSA-N
XLogP3.38
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434744) is 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H](N)C[C@H](C(F)(F)F)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KXJWVHOMRIJOPA-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H21F3N6O/c1-2-31-17-6-18(20-14(7-25)9-28-30(20)12-17)13-3-4-19(27-8-13)29-10-15(21(22,23)24)5-16(26)11-29/h3-4,6,8-9,12,15-16H,2,5,10-11,26H2,1H3/t15-,16+/m0/s1.
What are the key properties of 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 430.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).