6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C34H40F3N9O2 — CID 134434747

IUPAC6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H40F3N9O2/c1-3-43-14-16-44(17-15-43)23-33(42-32(47)30-28(34(35,36)37)6-5-11-39-30)9-12-45(13-10-33)29-8-7-24(20-40-29)27-18-26(48-4-2)22-46-31(27)25(19-38)21-41-46/h5-8,11,18,20-22,32,42,47H,3-4,9-10,12-17,23H2,1-2H3
InChIKeyWNQGJMBTFHQHQY-UHFFFAOYSA-N
MW663.75 g/mol
LogP4.34
Rot. Bonds10

About 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434747) has the molecular formula C34H40F3N9O2 and a molecular weight of 663.75 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434747
Molecular FormulaC34H40F3N9O2
Molecular Weight663.75 g/mol
Exact Mass663.33
IUPAC Name6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H40F3N9O2/c1-3-43-14-16-44(17-15-43)23-33(42-32(47)30-28(34(35,36)37)6-5-11-39-30)9-12-45(13-10-33)29-8-7-24(20-40-29)27-18-26(48-4-2)22-46-31(27)25(19-38)21-41-46/h5-8,11,18,20-22,32,42,47H,3-4,9-10,12-17,23H2,1-2H3
InChIKeyWNQGJMBTFHQHQY-UHFFFAOYSA-N
XLogP4.34
TPSA118.08 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.75
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434747) is 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WNQGJMBTFHQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N9O2/c1-3-43-14-16-44(17-15-43)23-33(42-32(47)30-28(34(35,36)37)6-5-11-39-30)9-12-45(13-10-33)29-8-7-24(20-40-29)27-18-26(48-4-2)22-46-31(27)25(19-38)21-41-46/h5-8,11,18,20-22,32,42,47H,3-4,9-10,12-17,23H2,1-2H3.
What are the key properties of 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 663.75 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[(4-ethylpiperazin-1-yl)methyl]-4-[[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).