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

C28H36N4O — CID 46880347

IUPAC(2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCc1ccc(CC[C@H]2c3c(C)nn(CC)c3CCN2[C@@H](C(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1
InChIKeyPPAKYKQRBNRNGC-RPLLCQBOSA-N
MW444.62 g/mol
LogP4.79
Rot. Bonds8

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

(2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 46880347) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
PubChem CID46880347
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name(2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
SMILESCCc1ccc(CC[C@H]2c3c(C)nn(CC)c3CCN2[C@@H](C(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1
InChIKeyPPAKYKQRBNRNGC-RPLLCQBOSA-N
XLogP4.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-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-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 46880347) is (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCc1ccc(CC[C@H]2c3c(C)nn(CC)c3CCN2[C@@H](C(=O)NC)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
The InChIKey is PPAKYKQRBNRNGC-RPLLCQBOSA-N. The full InChI is InChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1.
What are the key properties of (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 444.62 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-1-ethyl-4-[2-(4-ethylphenyl)ethyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 46880347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).