(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

C26H32N4O2 — CID 46880450

IUPAC(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2COc1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-5-30-22-15-16-29(25(26(31)27-4)20-9-7-6-8-10-20)23(24(22)19(3)28-30)17-32-21-13-11-18(2)12-14-21/h6-14,23,25H,5,15-17H2,1-4H3,(H,27,31)/t23-,25+/m0/s1
InChIKeyAEGZZSHIIWIBBQ-UKILVPOCSA-N
MW432.57 g/mol
LogP3.99
Rot. Bonds7

About (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide

(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 46880450) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID46880450
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2COc1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-5-30-22-15-16-29(25(26(31)27-4)20-9-7-6-8-10-20)23(24(22)19(3)28-30)17-32-21-13-11-18(2)12-14-21/h6-14,23,25H,5,15-17H2,1-4H3,(H,27,31)/t23-,25+/m0/s1
InChIKeyAEGZZSHIIWIBBQ-UKILVPOCSA-N
XLogP3.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 46880450) is (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2COc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is AEGZZSHIIWIBBQ-UKILVPOCSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-30-22-15-16-29(25(26(31)27-4)20-9-7-6-8-10-20)23(24(22)19(3)28-30)17-32-21-13-11-18(2)12-14-21/h6-14,23,25H,5,15-17H2,1-4H3,(H,27,31)/t23-,25+/m0/s1.
What are the key properties of (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 432.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 46880450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).