(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one

C22H23N5O3 — CID 160954596

IUPAC(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one
SMILESCCOc1ccc2c(c1)OCC[C@]21Cc2nn(-c3ccc(C)cn3)c(N)c2C(=O)N1
InChIInChI=1S/C22H23N5O3/c1-3-29-14-5-6-15-17(10-14)30-9-8-22(15)11-16-19(21(28)25-22)20(23)27(26-16)18-7-4-13(2)12-24-18/h4-7,10,12H,3,8-9,11,23H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyNJJFHTOCXFHCDL-QFIPXVFZSA-N
MW405.46 g/mol
LogP2.52
Rot. Bonds3

About (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one

(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one (PubChem CID 160954596) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one.

Molecular Properties

Compound Name(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one
PubChem CID160954596
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one
SMILESCCOc1ccc2c(c1)OCC[C@]21Cc2nn(-c3ccc(C)cn3)c(N)c2C(=O)N1
InChIInChI=1S/C22H23N5O3/c1-3-29-14-5-6-15-17(10-14)30-9-8-22(15)11-16-19(21(28)25-22)20(23)27(26-16)18-7-4-13(2)12-24-18/h4-7,10,12H,3,8-9,11,23H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyNJJFHTOCXFHCDL-QFIPXVFZSA-N
XLogP2.52
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one?
The IUPAC name of (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one (CID 160954596) is (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one.
What is the SMILES notation for (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one?
The canonical SMILES for (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one is CCOc1ccc2c(c1)OCC[C@]21Cc2nn(-c3ccc(C)cn3)c(N)c2C(=O)N1.
What is the InChIKey of (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one?
The InChIKey is NJJFHTOCXFHCDL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-3-29-14-5-6-15-17(10-14)30-9-8-22(15)11-16-19(21(28)25-22)20(23)27(26-16)18-7-4-13(2)12-24-18/h4-7,10,12H,3,8-9,11,23H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one?
(4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one has a molecular weight of 405.46 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-amino-7-ethoxy-2'-(5-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-4'-one is sourced from PubChem (CID 160954596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).