N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C25H30N4O4 — CID 20882237

IUPACN-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCCN1CCOCC1)Cc1ccco1)CO2
InChIInChI=1S/C25H30N4O4/c1-19-5-6-23-22(14-19)25-20(18-33-23)15-26-29(25)17-24(30)28(16-21-4-2-11-32-21)8-3-7-27-9-12-31-13-10-27/h2,4-6,11,14-15H,3,7-10,12-13,16-18H2,1H3
InChIKeyLVASUYKAFGCUJC-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.10
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 20882237) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID20882237
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCCN1CCOCC1)Cc1ccco1)CO2
InChIInChI=1S/C25H30N4O4/c1-19-5-6-23-22(14-19)25-20(18-33-23)15-26-29(25)17-24(30)28(16-21-4-2-11-32-21)8-3-7-27-9-12-31-13-10-27/h2,4-6,11,14-15H,3,7-10,12-13,16-18H2,1H3
InChIKeyLVASUYKAFGCUJC-UHFFFAOYSA-N
XLogP3.10
TPSA72.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
N-(furan-2-ylmethyl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)acetamide
CID 46995671
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 4205901
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-(1,3-benzodioxol-5-ylmethyl)-2-[butylsulfonyl(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4585832
N-(2,5-difluorophenyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882220
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 5244811
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)cyclopropanecarboxamide
CID 4044029
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 20880071
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5189771

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 20882237) is N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCCN1CCOCC1)Cc1ccco1)CO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is LVASUYKAFGCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-19-5-6-23-22(14-19)25-20(18-33-23)15-26-29(25)17-24(30)28(16-21-4-2-11-32-21)8-3-7-27-9-12-31-13-10-27/h2,4-6,11,14-15H,3,7-10,12-13,16-18H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 450.54 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 20882237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).