N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide

C25H31ClN4O2S — CID 42806439

IUPACN-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide
SMILESCc1ccc(-n2nc(CN(C)S(=O)(=O)C(C)C)c3c2CCN(Cc2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C25H31ClN4O2S/c1-18(2)33(31,32)28(4)17-24-23-16-29(15-20-6-5-7-21(26)14-20)13-12-25(23)30(27-24)22-10-8-19(3)9-11-22/h5-11,14,18H,12-13,15-17H2,1-4H3
InChIKeyPHFVELJQVVCSRX-UHFFFAOYSA-N
MW487.07 g/mol
LogP4.56
Rot. Bonds7

About N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide

N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide (PubChem CID 42806439) has the molecular formula C25H31ClN4O2S and a molecular weight of 487.07 g/mol. Its IUPAC name is N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide
PubChem CID42806439
Molecular FormulaC25H31ClN4O2S
Molecular Weight487.07 g/mol
Exact Mass486.19
IUPAC NameN-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide
SMILESCc1ccc(-n2nc(CN(C)S(=O)(=O)C(C)C)c3c2CCN(Cc2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C25H31ClN4O2S/c1-18(2)33(31,32)28(4)17-24-23-16-29(15-20-6-5-7-21(26)14-20)13-12-25(23)30(27-24)22-10-8-19(3)9-11-22/h5-11,14,18H,12-13,15-17H2,1-4H3
InChIKeyPHFVELJQVVCSRX-UHFFFAOYSA-N
XLogP4.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.07
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42801989
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
CID 42806556
N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide
CID 42806543
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 34131929
3-ethyl-1-[[1-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-propan-2-ylurea
CID 42872576
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44633107
1-[[5-[(4-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-(2-methylpropyl)amino]-3-methylbutan-2-ol
CID 42801955
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 42871669
N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42871544
N-ethyl-2,6-difluoro-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 46074420

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide (CID 42806439) is N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide is Cc1ccc(-n2nc(CN(C)S(=O)(=O)C(C)C)c3c2CCN(Cc2cccc(Cl)c2)C3)cc1.
What is the InChIKey of N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide?
The InChIKey is PHFVELJQVVCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2S/c1-18(2)33(31,32)28(4)17-24-23-16-29(15-20-6-5-7-21(26)14-20)13-12-25(23)30(27-24)22-10-8-19(3)9-11-22/h5-11,14,18H,12-13,15-17H2,1-4H3.
What are the key properties of N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide?
N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide has a molecular weight of 487.07 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 42806439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).