4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H22F3N7O — CID 134436984

IUPAC4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC(F)(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12
InChIInChI=1S/C25H22F3N7O/c26-25(27,28)17-36-21-11-22(24-19(12-29)14-32-35(24)16-21)18-4-5-23(31-13-18)34-9-7-33(8-10-34)15-20-3-1-2-6-30-20/h1-6,11,13-14,16H,7-10,15,17H2
InChIKeyPZMDBCAJUNZCII-UHFFFAOYSA-N
MW493.49 g/mol
LogP3.93
Rot. Bonds6

About 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436984) has the molecular formula C25H22F3N7O and a molecular weight of 493.49 g/mol. Its IUPAC name is 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436984
Molecular FormulaC25H22F3N7O
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC(F)(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12
InChIInChI=1S/C25H22F3N7O/c26-25(27,28)17-36-21-11-22(24-19(12-29)14-32-35(24)16-21)18-4-5-23(31-13-18)34-9-7-33(8-10-34)15-20-3-1-2-6-30-20/h1-6,11,13-14,16H,7-10,15,17H2
InChIKeyPZMDBCAJUNZCII-UHFFFAOYSA-N
XLogP3.93
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436984) is 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCC(F)(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12.
What is the InChIKey of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PZMDBCAJUNZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O/c26-25(27,28)17-36-21-11-22(24-19(12-29)14-32-35(24)16-21)18-4-5-23(31-13-18)34-9-7-33(8-10-34)15-20-3-1-2-6-30-20/h1-6,11,13-14,16H,7-10,15,17H2.
What are the key properties of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 493.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).