[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone

C24H27N3O2 — CID 50832332

IUPAC[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(COCc4ccccc4C)nn3C)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-10-19(11-9-17)24(28)27-13-12-23-21(14-27)22(25-26(23)3)16-29-15-20-7-5-4-6-18(20)2/h4-11H,12-16H2,1-3H3
InChIKeyJCPBWDYBRLWRGD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.95
Rot. Bonds5

About [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone

[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone (PubChem CID 50832332) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
PubChem CID50832332
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(c(COCc4ccccc4C)nn3C)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-8-10-19(11-9-17)24(28)27-13-12-23-21(14-27)22(25-26(23)3)16-29-15-20-7-5-4-6-18(20)2/h4-11H,12-16H2,1-3H3
InChIKeyJCPBWDYBRLWRGD-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone (CID 50832332) is [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3c(c(COCc4ccccc4C)nn3C)C2)cc1.
What is the InChIKey of [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is JCPBWDYBRLWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-8-10-19(11-9-17)24(28)27-13-12-23-21(14-27)22(25-26(23)3)16-29-15-20-7-5-4-6-18(20)2/h4-11H,12-16H2,1-3H3.
What are the key properties of [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone has a molecular weight of 389.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 50832332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).