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

C26H34N4O2S — CID 42871635

IUPACN-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCN1CCc2c(c(CN(CC(C)C)C(=O)c3cccs3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C26H34N4O2S/c1-5-13-28-14-12-22-20(17-28)21(27-30(22)23-9-6-7-10-24(23)32-4)18-29(16-19(2)3)26(31)25-11-8-15-33-25/h6-11,15,19H,5,12-14,16-18H2,1-4H3
InChIKeyJBBGFIDLBVDMLH-UHFFFAOYSA-N
MW466.65 g/mol
LogP5.01
Rot. Bonds9

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

N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 42871635) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID42871635
Molecular FormulaC26H34N4O2S
Molecular Weight466.65 g/mol
Exact Mass466.24
IUPAC NameN-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCN1CCc2c(c(CN(CC(C)C)C(=O)c3cccs3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C26H34N4O2S/c1-5-13-28-14-12-22-20(17-28)21(27-30(22)23-9-6-7-10-24(23)32-4)18-29(16-19(2)3)26(31)25-11-8-15-33-25/h6-11,15,19H,5,12-14,16-18H2,1-4H3
InChIKeyJBBGFIDLBVDMLH-UHFFFAOYSA-N
XLogP5.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871636
(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 93002198
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-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-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
N-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42871576
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-cyclopropyl-N-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 42872565
3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806490
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42871828
1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol
CID 42806508
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46074332

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 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) is N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is CCCN1CCc2c(c(CN(CC(C)C)C(=O)c3cccs3)nn2-c2ccccc2OC)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is JBBGFIDLBVDMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2S/c1-5-13-28-14-12-22-20(17-28)21(27-30(22)23-9-6-7-10-24(23)32-4)18-29(16-19(2)3)26(31)25-11-8-15-33-25/h6-11,15,19H,5,12-14,16-18H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 466.65 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 42871635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).