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

C23H18ClF3N6O3 — CID 171706353

IUPACN-[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
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2c1CCN(C(=O)c1cc3ccoc3cn1)C2
InChIInChI=1S/C23H18ClF3N6O3/c24-15-8-13(23(25,26)27)9-29-16(15)1-4-28-21(34)20-14-2-5-33(11-18(14)31-32-20)22(35)17-7-12-3-6-36-19(12)10-30-17/h3,6-10H,1-2,4-5,11H2,(H,28,34)(H,31,32)
InChIKeyPBYQOZAWOLKDFP-UHFFFAOYSA-N
MW518.88 g/mol
LogP3.79
Rot. Bonds5

About 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

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 (PubChem CID 171706353) has the molecular formula C23H18ClF3N6O3 and a molecular weight of 518.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171706353
Molecular FormulaC23H18ClF3N6O3
Molecular Weight518.88 g/mol
Exact Mass518.11
IUPAC NameN-[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
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2c1CCN(C(=O)c1cc3ccoc3cn1)C2
InChIInChI=1S/C23H18ClF3N6O3/c24-15-8-13(23(25,26)27)9-29-16(15)1-4-28-21(34)20-14-2-5-33(11-18(14)31-32-20)22(35)17-7-12-3-6-36-19(12)10-30-17/h3,6-10H,1-2,4-5,11H2,(H,28,34)(H,31,32)
InChIKeyPBYQOZAWOLKDFP-UHFFFAOYSA-N
XLogP3.79
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.88
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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
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
2-(1-benzofuran-3-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706333
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
N-[2-(3-fluorophenyl)ethyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322122
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166622118
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
CID 3294419
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 25138356
N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621792
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1n[nH]c2c1CCN(C(=O)c1cc3ccoc3cn1)C2.
What is the InChIKey of 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?
The InChIKey is PBYQOZAWOLKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O3/c24-15-8-13(23(25,26)27)9-29-16(15)1-4-28-21(34)20-14-2-5-33(11-18(14)31-32-20)22(35)17-7-12-3-6-36-19(12)10-30-17/h3,6-10H,1-2,4-5,11H2,(H,28,34)(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 518.88 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171706353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).