3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C25H29ClN4O2 — CID 159236931

IUPAC3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(C)cc4Cl)nn3C)C2)cc1
InChIInChI=1S/C25H29ClN4O2/c1-4-18-6-9-20(10-7-18)27-25(31)30-12-11-24-21(14-30)23(28-29(24)3)16-32-15-19-8-5-17(2)13-22(19)26/h5-10,13H,4,11-12,14-16H2,1-3H3,(H,27,31)
InChIKeyOJXFXWSVDZEVRS-UHFFFAOYSA-N
MW452.99 g/mol
LogP5.25
Rot. Bonds6

About 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159236931) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID159236931
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(C)cc4Cl)nn3C)C2)cc1
InChIInChI=1S/C25H29ClN4O2/c1-4-18-6-9-20(10-7-18)27-25(31)30-12-11-24-21(14-30)23(28-29(24)3)16-32-15-19-8-5-17(2)13-22(19)26/h5-10,13H,4,11-12,14-16H2,1-3H3,(H,27,31)
InChIKeyOJXFXWSVDZEVRS-UHFFFAOYSA-N
XLogP5.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.99
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018328
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018252
N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018360
N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
(4-bromophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832610
3-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832665
1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone
CID 50832655
1,3-benzodioxol-5-yl-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832763
ethyl 2-[[3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]acetate
CID 53018336
[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 50832791
N-(4-ethylphenyl)-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080026
3-[(N-acetylanilino)methyl]-N-(4-bromophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834906

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 159236931) is 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(C)cc4Cl)nn3C)C2)cc1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is OJXFXWSVDZEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-4-18-6-9-20(10-7-18)27-25(31)30-12-11-24-21(14-30)23(28-29(24)3)16-32-15-19-8-5-17(2)13-22(19)26/h5-10,13H,4,11-12,14-16H2,1-3H3,(H,27,31).
What are the key properties of 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).