[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

C29H36N4O3 — CID 45161685

IUPAC[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCc1ccc(CN2CCc3c(c(C(=O)N4CCCC(O)C4)nn3Cc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C29H36N4O3/c1-3-21-9-11-22(12-10-21)17-31-15-13-27-26(20-31)28(29(35)32-14-5-7-24(34)19-32)30-33(27)18-23-6-4-8-25(16-23)36-2/h4,6,8-12,16,24,34H,3,5,7,13-15,17-20H2,1-2H3
InChIKeyPVMWCUFVGUNIEL-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.66
Rot. Bonds7

About [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone

[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45161685) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID45161685
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCc1ccc(CN2CCc3c(c(C(=O)N4CCCC(O)C4)nn3Cc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C29H36N4O3/c1-3-21-9-11-22(12-10-21)17-31-15-13-27-26(20-31)28(29(35)32-14-5-7-24(34)19-32)30-33(27)18-23-6-4-8-25(16-23)36-2/h4,6,8-12,16,24,34H,3,5,7,13-15,17-20H2,1-2H3
InChIKeyPVMWCUFVGUNIEL-UHFFFAOYSA-N
XLogP3.66
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 45161685) is [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone is CCc1ccc(CN2CCc3c(c(C(=O)N4CCCC(O)C4)nn3Cc3cccc(OC)c3)C2)cc1.
What is the InChIKey of [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is PVMWCUFVGUNIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-3-21-9-11-22(12-10-21)17-31-15-13-27-26(20-31)28(29(35)32-14-5-7-24(34)19-32)30-33(27)18-23-6-4-8-25(16-23)36-2/h4,6,8-12,16,24,34H,3,5,7,13-15,17-20H2,1-2H3.
What are the key properties of [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 488.63 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 45161685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).