3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide

C23H22ClF3N6O3 — CID 171706350

IUPAC3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c(C(=O)NCCc3ncc(C(F)(F)F)cc3Cl)n[nH]c2C1
InChIInChI=1S/C23H22ClF3N6O3/c1-36-19-5-3-2-4-17(19)30-22(35)33-9-7-14-18(12-33)31-32-20(14)21(34)28-8-6-16-15(24)10-13(11-29-16)23(25,26)27/h2-5,10-11H,6-9,12H2,1H3,(H,28,34)(H,30,35)(H,31,32)
InChIKeyITVBJLOZRXARKF-UHFFFAOYSA-N
MW522.92 g/mol
LogP4.05
Rot. Bonds6

About 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide

3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide (PubChem CID 171706350) has the molecular formula C23H22ClF3N6O3 and a molecular weight of 522.92 g/mol. Its IUPAC name is 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide
PubChem CID171706350
Molecular FormulaC23H22ClF3N6O3
Molecular Weight522.92 g/mol
Exact Mass522.14
IUPAC Name3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c(C(=O)NCCc3ncc(C(F)(F)F)cc3Cl)n[nH]c2C1
InChIInChI=1S/C23H22ClF3N6O3/c1-36-19-5-3-2-4-17(19)30-22(35)33-9-7-14-18(12-33)31-32-20(14)21(34)28-8-6-16-15(24)10-13(11-29-16)23(25,26)27/h2-5,10-11H,6-9,12H2,1H3,(H,28,34)(H,30,35)(H,31,32)
InChIKeyITVBJLOZRXARKF-UHFFFAOYSA-N
XLogP4.05
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.92
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide with MolForge

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Related Compounds

6-(1-benzofuran-4-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171706356
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-(furo[2,3-c]pyridine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171706353
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 46652261
2-(1-benzofuran-3-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706333
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
CID 17476375
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
tert-butyl 3-[(2-ethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575552
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide?
The IUPAC name of 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide (CID 171706350) is 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide.
What is the SMILES notation for 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide?
The canonical SMILES for 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide is COc1ccccc1NC(=O)N1CCc2c(C(=O)NCCc3ncc(C(F)(F)F)cc3Cl)n[nH]c2C1.
What is the InChIKey of 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide?
The InChIKey is ITVBJLOZRXARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O3/c1-36-19-5-3-2-4-17(19)30-22(35)33-9-7-14-18(12-33)31-32-20(14)21(34)28-8-6-16-15(24)10-13(11-29-16)23(25,26)27/h2-5,10-11H,6-9,12H2,1H3,(H,28,34)(H,30,35)(H,31,32).
What are the key properties of 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide?
3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide has a molecular weight of 522.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-6-N-(2-methoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3,6-dicarboxamide is sourced from PubChem (CID 171706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).