spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H24F3N3O3 — CID 155739175

IUPACspiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)C1CC2(CCC2)C1
InChIInChI=1S/C16H12F3N3O.C8H12O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-22-14(11)13(9-21-22)15(20)23;9-7(10)6-4-8(5-6)2-1-3-8/h1-7,9H,8H2,(H2,20,23);6H,1-5H2,(H,9,10)
InChIKeyKLKBQFNUGNPVTJ-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.69
Rot. Bonds4

About spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155739175) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Namespiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155739175
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Namespiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)C1CC2(CCC2)C1
InChIInChI=1S/C16H12F3N3O.C8H12O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-22-14(11)13(9-21-22)15(20)23;9-7(10)6-4-8(5-6)2-1-3-8/h1-7,9H,8H2,(H2,20,23);6H,1-5H2,(H,9,10)
InChIKeyKLKBQFNUGNPVTJ-UHFFFAOYSA-N
XLogP4.69
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 155391288
4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 155402746
N-[1-(4-methylphenyl)cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167654697
methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 155402700
2-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 155390715
ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167681433
sodium;methanol;methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoic acid;hydroxide
CID 167602744
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 160685609
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[2.3]hexane-5-carboxylic acid
CID 155486123
4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
3-fluoro-3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 127263565
4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 71699701

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155739175) is spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)C1CC2(CCC2)C1.
What is the InChIKey of spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KLKBQFNUGNPVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O.C8H12O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-22-14(11)13(9-21-22)15(20)23;9-7(10)6-4-8(5-6)2-1-3-8/h1-7,9H,8H2,(H2,20,23);6H,1-5H2,(H,9,10).
What are the key properties of spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155739175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).