N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide

C22H28N4O3 — CID 154579102

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
SMILESCOCCn1nc(CCC(=O)NCCc2c[nH]c3ccccc23)c2c1CCOC2
InChIInChI=1S/C22H28N4O3/c1-28-13-11-26-21-9-12-29-15-18(21)20(25-26)6-7-22(27)23-10-8-16-14-24-19-5-3-2-4-17(16)19/h2-5,14,24H,6-13,15H2,1H3,(H,23,27)
InChIKeyUGWLSSJCZGQKGO-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.38
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide (PubChem CID 154579102) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
PubChem CID154579102
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
SMILESCOCCn1nc(CCC(=O)NCCc2c[nH]c3ccccc23)c2c1CCOC2
InChIInChI=1S/C22H28N4O3/c1-28-13-11-26-21-9-12-29-15-18(21)20(25-26)6-7-22(27)23-10-8-16-14-24-19-5-3-2-4-17(16)19/h2-5,14,24H,6-13,15H2,1H3,(H,23,27)
InChIKeyUGWLSSJCZGQKGO-UHFFFAOYSA-N
XLogP2.38
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide 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

4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide
CID 154578483
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide (CID 154579102) is N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide is COCCn1nc(CCC(=O)NCCc2c[nH]c3ccccc23)c2c1CCOC2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide?
The InChIKey is UGWLSSJCZGQKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-13-11-26-21-9-12-29-15-18(21)20(25-26)6-7-22(27)23-10-8-16-14-24-19-5-3-2-4-17(16)19/h2-5,14,24H,6-13,15H2,1H3,(H,23,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 154579102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).