(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide

C25H21F6N5O4 — CID 146606979

IUPAC(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C25H21F6N5O4/c1-13-2-5-18(32-10-13)36-20(22(38)33-11-24(26,27)28)19-16(35-36)9-23(34-21(19)37)6-7-39-17-8-14(3-4-15(17)23)40-12-25(29,30)31/h2-5,8,10H,6-7,9,11-12H2,1H3,(H,33,38)(H,34,37)/t23-/m0/s1
InChIKeyLKDLPYFAOKWTQG-QHCPKHFHSA-N
MW569.46 g/mol
LogP3.77
Rot. Bonds5

About (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide

(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 146606979) has the molecular formula C25H21F6N5O4 and a molecular weight of 569.46 g/mol. Its IUPAC name is (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

Molecular Properties

Compound Name(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
PubChem CID146606979
Molecular FormulaC25H21F6N5O4
Molecular Weight569.46 g/mol
Exact Mass569.15
IUPAC Name(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C25H21F6N5O4/c1-13-2-5-18(32-10-13)36-20(22(38)33-11-24(26,27)28)19-16(35-36)9-23(34-21(19)37)6-7-39-17-8-14(3-4-15(17)23)40-12-25(29,30)31/h2-5,8,10H,6-7,9,11-12H2,1H3,(H,33,38)(H,34,37)/t23-/m0/s1
InChIKeyLKDLPYFAOKWTQG-QHCPKHFHSA-N
XLogP3.77
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The IUPAC name of (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 146606979) is (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.
What is the SMILES notation for (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The canonical SMILES for (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is Cc1ccc(-n2nc3c(c2C(=O)NCC(F)(F)F)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1.
What is the InChIKey of (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The InChIKey is LKDLPYFAOKWTQG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H21F6N5O4/c1-13-2-5-18(32-10-13)36-20(22(38)33-11-24(26,27)28)19-16(35-36)9-23(34-21(19)37)6-7-39-17-8-14(3-4-15(17)23)40-12-25(29,30)31/h2-5,8,10H,6-7,9,11-12H2,1H3,(H,33,38)(H,34,37)/t23-/m0/s1.
What are the key properties of (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
(4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide has a molecular weight of 569.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is sourced from PubChem (CID 146606979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).