(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide

C28H26F5N5O4 — CID 146607417

IUPAC(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC2(C(F)F)CC2)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C28H26F5N5O4/c1-15-2-5-20(34-12-15)38-22(24(40)35-13-26(6-7-26)25(29)30)21-18(37-38)11-27(36-23(21)39)8-9-41-19-10-16(3-4-17(19)27)42-14-28(31,32)33/h2-5,10,12,25H,6-9,11,13-14H2,1H3,(H,35,40)(H,36,39)/t27-/m0/s1
InChIKeyPKIIZBAKSFVFDH-MHZLTWQESA-N
MW591.54 g/mol
LogP4.26
Rot. Bonds7

About (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide

(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 146607417) has the molecular formula C28H26F5N5O4 and a molecular weight of 591.54 g/mol. Its IUPAC name is (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
PubChem CID146607417
Molecular FormulaC28H26F5N5O4
Molecular Weight591.54 g/mol
Exact Mass591.19
IUPAC Name(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NCC2(C(F)F)CC2)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1
InChIInChI=1S/C28H26F5N5O4/c1-15-2-5-20(34-12-15)38-22(24(40)35-13-26(6-7-26)25(29)30)21-18(37-38)11-27(36-23(21)39)8-9-41-19-10-16(3-4-17(19)27)42-14-28(31,32)33/h2-5,10,12,25H,6-9,11,13-14H2,1H3,(H,35,40)(H,36,39)/t27-/m0/s1
InChIKeyPKIIZBAKSFVFDH-MHZLTWQESA-N
XLogP4.26
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)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)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The IUPAC name of (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 146607417) is (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.
What is the SMILES notation for (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The canonical SMILES for (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is Cc1ccc(-n2nc3c(c2C(=O)NCC2(C(F)F)CC2)C(=O)N[C@@]2(CCOc4cc(OCC(F)(F)F)ccc42)C3)nc1.
What is the InChIKey of (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
The InChIKey is PKIIZBAKSFVFDH-MHZLTWQESA-N. The full InChI is InChI=1S/C28H26F5N5O4/c1-15-2-5-20(34-12-15)38-22(24(40)35-13-26(6-7-26)25(29)30)21-18(37-38)11-27(36-23(21)39)8-9-41-19-10-16(3-4-17(19)27)42-14-28(31,32)33/h2-5,10,12,25H,6-9,11,13-14H2,1H3,(H,35,40)(H,36,39)/t27-/m0/s1.
What are the key properties of (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?
(4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide has a molecular weight of 591.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[1-(difluoromethyl)cyclopropyl]methyl]-2'-(5-methyl-2-pyridinyl)-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is sourced from PubChem (CID 146607417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).