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

C21H26N4O2 — CID 154578483

IUPAC4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide
SMILESCn1nc(CCNC(=O)CCCc2c[nH]c3ccccc23)c2c1CCOC2
InChIInChI=1S/C21H26N4O2/c1-25-20-10-12-27-14-17(20)19(24-25)9-11-22-21(26)8-4-5-15-13-23-18-7-3-2-6-16(15)18/h2-3,6-7,13,23H,4-5,8-12,14H2,1H3,(H,22,26)
InChIKeyXZVLYZVDUKBIPG-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.66
Rot. Bonds7

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

4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide (PubChem CID 154578483) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide
PubChem CID154578483
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide
SMILESCn1nc(CCNC(=O)CCCc2c[nH]c3ccccc23)c2c1CCOC2
InChIInChI=1S/C21H26N4O2/c1-25-20-10-12-27-14-17(20)19(24-25)9-11-22-21(26)8-4-5-15-13-23-18-7-3-2-6-16(15)18/h2-3,6-7,13,23H,4-5,8-12,14H2,1H3,(H,22,26)
InChIKeyXZVLYZVDUKBIPG-UHFFFAOYSA-N
XLogP2.66
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide (CID 154578483) is 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide is Cn1nc(CCNC(=O)CCCc2c[nH]c3ccccc23)c2c1CCOC2.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide?
The InChIKey is XZVLYZVDUKBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-25-20-10-12-27-14-17(20)19(24-25)9-11-22-21(26)8-4-5-15-13-23-18-7-3-2-6-16(15)18/h2-3,6-7,13,23H,4-5,8-12,14H2,1H3,(H,22,26).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide?
4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide has a molecular weight of 366.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 154578483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).