1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H27N5OS — CID 26221039

IUPAC1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C22H27N5OS/c1-16(2)13-27-20-7-9-26(14-18-6-4-10-29-18)15-19(20)21(25-27)22(28)24-12-17-5-3-8-23-11-17/h3-6,8,10-11,16H,7,9,12-15H2,1-2H3,(H,24,28)
InChIKeyVSSUUIONRPDPIA-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.48
Rot. Bonds7

About 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26221039) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26221039
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C22H27N5OS/c1-16(2)13-27-20-7-9-26(14-18-6-4-10-29-18)15-19(20)21(25-27)22(28)24-12-17-5-3-8-23-11-17/h3-6,8,10-11,16H,7,9,12-15H2,1-2H3,(H,24,28)
InChIKeyVSSUUIONRPDPIA-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[1-(2-methylpropyl)-3-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]benzoate
CID 26144039
5-benzoyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138413
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26219419
5-(1-ethylpyrazole-4-carbonyl)-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26214877
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162401
1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232495
3-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 9320304
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163222
1-(pyridin-3-ylmethyl)-7-(thiophen-2-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97406174
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118766521

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26221039) is 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1cccs1)C2.
What is the InChIKey of 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VSSUUIONRPDPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-16(2)13-27-20-7-9-26(14-18-6-4-10-29-18)15-19(20)21(25-27)22(28)24-12-17-5-3-8-23-11-17/h3-6,8,10-11,16H,7,9,12-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26221039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).