N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C24H28N4O3S — CID 22517164

IUPACN-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c2c1-c1ccccc1SC2
InChIInChI=1S/C24H28N4O3S/c1-26-23-19-7-2-3-8-21(19)32-17-20(23)22(25-26)24(29)28(16-18-6-4-13-31-18)10-5-9-27-11-14-30-15-12-27/h2-4,6-8,13H,5,9-12,14-17H2,1H3
InChIKeyLMLKWHHMDSJPDE-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.65
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517164) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517164
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c2c1-c1ccccc1SC2
InChIInChI=1S/C24H28N4O3S/c1-26-23-19-7-2-3-8-21(19)32-17-20(23)22(25-26)24(29)28(16-18-6-4-13-31-18)10-5-9-27-11-14-30-15-12-27/h2-4,6-8,13H,5,9-12,14-17H2,1H3
InChIKeyLMLKWHHMDSJPDE-UHFFFAOYSA-N
XLogP3.65
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Ethoxyphenyl)-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017100
N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
[1-[3-(furan-3-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950352
(7-methoxy-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950386
[1-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950432
[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66581112
[7-methoxy-5,5-dioxo-1-[(3S)-1-(oxolan-3-ylmethyl)piperidin-3-yl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66581176
furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone
CID 66581178
methyl 5-[[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 66581204
1-(4-Methoxyphenyl)-4-{1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carbonyl}piperazine
CID 16017102
[4-(2-Methoxyphenyl)-1-piperazinyl](1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 16017735
N-(2-Ethoxyphenyl)-N-ethyl-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 22517159

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517164) is N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c2c1-c1ccccc1SC2.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LMLKWHHMDSJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-26-23-19-7-2-3-8-21(19)32-17-20(23)22(25-26)24(29)28(16-18-6-4-13-31-18)10-5-9-27-11-14-30-15-12-27/h2-4,6-8,13H,5,9-12,14-17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.65, 7 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-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).