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

C30H31F3N8O2 — CID 134436480

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H31F3N8O2/c1-4-43-22-14-23(27-21(15-34)17-37-41(27)18-22)20-7-8-25(36-16-20)40-12-9-29(10-13-40,19-39(2)3)38-28(42)26-24(30(31,32)33)6-5-11-35-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,38,42)
InChIKeyXSUZJDGTGGALBG-UHFFFAOYSA-N
MW592.63 g/mol
LogP4.41
Rot. Bonds8

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134436480) has the molecular formula C30H31F3N8O2 and a molecular weight of 592.63 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134436480
Molecular FormulaC30H31F3N8O2
Molecular Weight592.63 g/mol
Exact Mass592.25
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H31F3N8O2/c1-4-43-22-14-23(27-21(15-34)17-37-41(27)18-22)20-7-8-25(36-16-20)40-12-9-29(10-13-40,19-39(2)3)38-28(42)26-24(30(31,32)33)6-5-11-35-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,38,42)
InChIKeyXSUZJDGTGGALBG-UHFFFAOYSA-N
XLogP4.41
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.63
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

US10144734, Example 391
CID 134435339
US9593097, Example 509
CID 121408977
2-[(1S)-1-[[6-amino-5-[5-(difluoromethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenyl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one
CID 129012416
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-methoxypyridin-2-yl)amino)nicotinamide
CID 138704126
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)amino)nicotinamide
CID 138704309
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-((3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704543
4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 71454074
4-(6-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436703
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
US9914731, Ex. No. 26
CID 118203883
US9914731, Ex. No. 37
CID 118203946
US9914731, Ex. No. 36
CID 122667730

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-[(dimethylamino)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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134436480) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)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-[(dimethylamino)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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C)(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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XSUZJDGTGGALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N8O2/c1-4-43-22-14-23(27-21(15-34)17-37-41(27)18-22)20-7-8-25(36-16-20)40-12-9-29(10-13-40,19-39(2)3)38-28(42)26-24(30(31,32)33)6-5-11-35-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,38,42).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 592.63 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-[(dimethylamino)methyl]piperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134436480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).