N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H21N5O5S — CID 46323043

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1cc(-c3cccs3)on1)C2
InChIInChI=1S/C24H21N5O5S/c1-28-17-6-7-29(24(31)16-10-20(34-27-16)21-3-2-8-35-21)12-15(17)22(26-28)23(30)25-11-14-4-5-18-19(9-14)33-13-32-18/h2-5,8-10H,6-7,11-13H2,1H3,(H,25,30)
InChIKeySILFHFUWMASAMM-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.99
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46323043) has the molecular formula C24H21N5O5S and a molecular weight of 491.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46323043
Molecular FormulaC24H21N5O5S
Molecular Weight491.53 g/mol
Exact Mass491.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1cc(-c3cccs3)on1)C2
InChIInChI=1S/C24H21N5O5S/c1-28-17-6-7-29(24(31)16-10-20(34-27-16)21-3-2-8-35-21)12-15(17)22(26-28)23(30)25-11-14-4-5-18-19(9-14)33-13-32-18/h2-5,8-10H,6-7,11-13H2,1H3,(H,25,30)
InChIKeySILFHFUWMASAMM-UHFFFAOYSA-N
XLogP2.99
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066603
N-(1,3-benzodioxol-5-ylmethyl)-5-(cyclopentanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066626
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066625
N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066624
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066718
N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138834
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066697
5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066513
[5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 45160032
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 1329977
N-[(4-chlorophenyl)methyl]-5-(2,6-difluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066494
5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 46323043) is N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1cc(-c3cccs3)on1)C2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SILFHFUWMASAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5S/c1-28-17-6-7-29(24(31)16-10-20(34-27-16)21-3-2-8-35-21)12-15(17)22(26-28)23(30)25-11-14-4-5-18-19(9-14)33-13-32-18/h2-5,8-10H,6-7,11-13H2,1H3,(H,25,30).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46323043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).