N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C34H38F3N9O2 — CID 134497241

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H38F3N9O2/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/h5-8,11,18,20-22H,3-4,9-10,12-17,23H2,1-2H3,(H,42,47)
InChIKeyGIVHZGBHASPQHX-UHFFFAOYSA-N
MW661.73 g/mol
LogP4.49
Rot. Bonds9

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134497241) has the molecular formula C34H38F3N9O2 and a molecular weight of 661.73 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134497241
Molecular FormulaC34H38F3N9O2
Molecular Weight661.73 g/mol
Exact Mass661.31
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H38F3N9O2/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/h5-8,11,18,20-22H,3-4,9-10,12-17,23H2,1-2H3,(H,42,47)
InChIKeyGIVHZGBHASPQHX-UHFFFAOYSA-N
XLogP4.49
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.73
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide 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 N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134497241) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GIVHZGBHASPQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N9O2/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/h5-8,11,18,20-22H,3-4,9-10,12-17,23H2,1-2H3,(H,42,47).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 661.73 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134497241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).