(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C22H21F3N6O2 — CID 151089035

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESCC1(O)CCN(C(=O)c2cc3c(cn2)c(-c2cnn4ccccc24)nn3CC(F)(F)F)CC1
InChIInChI=1S/C22H21F3N6O2/c1-21(33)5-8-29(9-6-21)20(32)16-10-18-14(11-26-16)19(28-31(18)13-22(23,24)25)15-12-27-30-7-3-2-4-17(15)30/h2-4,7,10-12,33H,5-6,8-9,13H2,1H3
InChIKeyMLSSOFMLAJRRJH-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.30
Rot. Bonds3

About (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 151089035) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID151089035
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESCC1(O)CCN(C(=O)c2cc3c(cn2)c(-c2cnn4ccccc24)nn3CC(F)(F)F)CC1
InChIInChI=1S/C22H21F3N6O2/c1-21(33)5-8-29(9-6-21)20(32)16-10-18-14(11-26-16)19(28-31(18)13-22(23,24)25)15-12-27-30-7-3-2-4-17(15)30/h2-4,7,10-12,33H,5-6,8-9,13H2,1H3
InChIKeyMLSSOFMLAJRRJH-UHFFFAOYSA-N
XLogP3.30
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 151089035) is (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is CC1(O)CCN(C(=O)c2cc3c(cn2)c(-c2cnn4ccccc24)nn3CC(F)(F)F)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The InChIKey is MLSSOFMLAJRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-21(33)5-8-29(9-6-21)20(32)16-10-18-14(11-26-16)19(28-31(18)13-22(23,24)25)15-12-27-30-7-3-2-4-17(15)30/h2-4,7,10-12,33H,5-6,8-9,13H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 458.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 151089035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).