carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C52H54F6N6O7 — CID 167618730

IUPACcarbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCC1CC2(CC(N)C2)C1.CCOC(=O)C1CC2(CC(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)C2)C1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C=O
InChIInChI=1S/C26H26F3N3O3.C16H11F3N2O2.C9H17N.CO2/c1-2-35-24(34)18-11-25(12-18)13-20(14-25)31-23(33)21-15-30-32-9-3-4-17(22(21)32)10-16-5-7-19(8-6-16)26(27,28)29;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-2-7-3-9(4-7)5-8(10)6-9;2-1-3/h3-9,15,18,20H,2,10-14H2,1H3,(H,31,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3;
InChIKeyMCZCJAHCCHXMLF-UHFFFAOYSA-N
MW989.03 g/mol
LogP9.77
Rot. Bonds10

About carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167618730) has the molecular formula C52H54F6N6O7 and a molecular weight of 989.03 g/mol. Its IUPAC name is carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167618730
Molecular FormulaC52H54F6N6O7
Molecular Weight989.03 g/mol
Exact Mass988.40
IUPAC Namecarbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCC1CC2(CC(N)C2)C1.CCOC(=O)C1CC2(CC(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)C2)C1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C=O
InChIInChI=1S/C26H26F3N3O3.C16H11F3N2O2.C9H17N.CO2/c1-2-35-24(34)18-11-25(12-18)13-20(14-25)31-23(33)21-15-30-32-9-3-4-17(22(21)32)10-16-5-7-19(8-6-16)26(27,28)29;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-2-7-3-9(4-7)5-8(10)6-9;2-1-3/h3-9,15,18,20H,2,10-14H2,1H3,(H,31,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3;
InChIKeyMCZCJAHCCHXMLF-UHFFFAOYSA-N
XLogP9.77
TPSA187.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.03
LogP ≤ 59.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

US12473304, Example 371
CID 156829507
4-(3-(5-(2-(2,2-Dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-ylcarbamoyl)pyrazolo[1,5-a]pyridin-6-yl)-2-fluorobenzoic acid
CID 71283279
6-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamido)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89618999
6-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89619001
5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89634197
5-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 117772321
Ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate
CID 155390713
methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 155390794
Methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 155390795
Ethyl 2-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate
CID 155390827
2-[[4-[[4-(Trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 155390829
4-[1-[[4-[[4-(Trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 155390851

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167618730) is carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CCC1CC2(CC(N)C2)C1.CCOC(=O)C1CC2(CC(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)C2)C1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C=O.
What is the InChIKey of carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is MCZCJAHCCHXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3.C16H11F3N2O2.C9H17N.CO2/c1-2-35-24(34)18-11-25(12-18)13-20(14-25)31-23(33)21-15-30-32-9-3-4-17(22(21)32)10-16-5-7-19(8-6-16)26(27,28)29;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-2-7-3-9(4-7)5-8(10)6-9;2-1-3/h3-9,15,18,20H,2,10-14H2,1H3,(H,31,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3;.
What are the key properties of carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 989.03 g/mol, XLogP of 9.77, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167618730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).