N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide

C19H21N5O3S — CID 17490202

IUPACN-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cn3ccccc3n2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H21N5O3S/c1-14-19(28(25,26)22(3)13-17-7-6-10-27-17)15(2)24(21-14)12-16-11-23-9-5-4-8-18(23)20-16/h4-11H,12-13H2,1-3H3
InChIKeyIAXIVHSCTYUMFU-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.61
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 17490202) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID17490202
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cn3ccccc3n2)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H21N5O3S/c1-14-19(28(25,26)22(3)13-17-7-6-10-27-17)15(2)24(21-14)12-16-11-23-9-5-4-8-18(23)20-16/h4-11H,12-13H2,1-3H3
InChIKeyIAXIVHSCTYUMFU-UHFFFAOYSA-N
XLogP2.61
TPSA85.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 36660020
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 110892021
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17400356
2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43044139
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17402856
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazole-4-sulfonamide
CID 45354452
1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 42920983
4-(furan-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-2-amine
CID 60695653
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 45356004

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (CID 17490202) is N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(Cc2cn3ccccc3n2)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is IAXIVHSCTYUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-14-19(28(25,26)22(3)13-17-7-6-10-27-17)15(2)24(21-14)12-16-11-23-9-5-4-8-18(23)20-16/h4-11H,12-13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 399.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17490202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).