[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C29H37N5O2 — CID 26214280

IUPAC[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1cc(C)c(OC)cc1C)C2
InChIInChI=1S/C29H37N5O2/c1-5-34-26-11-12-31(19-23-17-22(3)27(36-4)18-21(23)2)20-25(26)28(30-34)29(35)33-15-13-32(14-16-33)24-9-7-6-8-10-24/h6-10,17-18H,5,11-16,19-20H2,1-4H3
InChIKeyAPWAZALMRYMNEO-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.05
Rot. Bonds6

About [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 26214280) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID26214280
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1cc(C)c(OC)cc1C)C2
InChIInChI=1S/C29H37N5O2/c1-5-34-26-11-12-31(19-23-17-22(3)27(36-4)18-21(23)2)20-25(26)28(30-34)29(35)33-15-13-32(14-16-33)24-9-7-6-8-10-24/h6-10,17-18H,5,11-16,19-20H2,1-4H3
InChIKeyAPWAZALMRYMNEO-UHFFFAOYSA-N
XLogP4.05
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 26214280) is [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1cc(C)c(OC)cc1C)C2.
What is the InChIKey of [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is APWAZALMRYMNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-5-34-26-11-12-31(19-23-17-22(3)27(36-4)18-21(23)2)20-25(26)28(30-34)29(35)33-15-13-32(14-16-33)24-9-7-6-8-10-24/h6-10,17-18H,5,11-16,19-20H2,1-4H3.
What are the key properties of [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 487.65 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-methoxy-2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 26214280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).