1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H26F3N5O2 — CID 69247432

IUPAC1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(=O)CC3)c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C24H26F3N5O2/c1-3-32-22-19(13-29-32)21(31-17-8-10-18(33)11-9-17)20(12-28-22)23(34)30-14(2)15-4-6-16(7-5-15)24(25,26)27/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyOHCITYMIENCHLX-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.88
Rot. Bonds6

About 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247432) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69247432
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(=O)CC3)c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C24H26F3N5O2/c1-3-32-22-19(13-29-32)21(31-17-8-10-18(33)11-9-17)20(12-28-22)23(34)30-14(2)15-4-6-16(7-5-15)24(25,26)27/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyOHCITYMIENCHLX-UHFFFAOYSA-N
XLogP4.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247432) is 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCC(=O)CC3)c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cnc21.
What is the InChIKey of 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OHCITYMIENCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-3-32-22-19(13-29-32)21(31-17-8-10-18(33)11-9-17)20(12-28-22)23(34)30-14(2)15-4-6-16(7-5-15)24(25,26)27/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,28,31)(H,30,34).
What are the key properties of 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).