N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide

C23H27ClN4OS — CID 42871669

IUPACN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
SMILESCCCN1CCc2c(c(CN(CC)C(=O)c3cccs3)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C23H27ClN4OS/c1-3-11-26-12-10-21-19(15-26)20(25-28(21)18-8-5-7-17(24)14-18)16-27(4-2)23(29)22-9-6-13-30-22/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3
InChIKeyFZTANNFQFYUZKD-UHFFFAOYSA-N
MW443.02 g/mol
LogP5.02
Rot. Bonds7

About N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide

N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide (PubChem CID 42871669) has the molecular formula C23H27ClN4OS and a molecular weight of 443.02 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
PubChem CID42871669
Molecular FormulaC23H27ClN4OS
Molecular Weight443.02 g/mol
Exact Mass442.16
IUPAC NameN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
SMILESCCCN1CCc2c(c(CN(CC)C(=O)c3cccs3)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C23H27ClN4OS/c1-3-11-26-12-10-21-19(15-26)20(25-28(21)18-8-5-7-17(24)14-18)16-27(4-2)23(29)22-9-6-13-30-22/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3
InChIKeyFZTANNFQFYUZKD-UHFFFAOYSA-N
XLogP5.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.02
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42871635
N-[[1-(4-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42871530
N-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 42806590
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-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42871544
1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
CID 42806494
3-chloro-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871624
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-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
N-ethyl-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-nitrobenzamide
CID 42872644
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide (CID 42871669) is N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide is CCCN1CCc2c(c(CN(CC)C(=O)c3cccs3)nn2-c2cccc(Cl)c2)C1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is FZTANNFQFYUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4OS/c1-3-11-26-12-10-21-19(15-26)20(25-28(21)18-8-5-7-17(24)14-18)16-27(4-2)23(29)22-9-6-13-30-22/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3.
What are the key properties of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide?
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 443.02 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 42871669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).