2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide

C21H22N4O3 — CID 126939195

IUPAC2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1COCC1n1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H22N4O3/c26-20(8-14-10-22-17-6-2-1-5-15(14)17)23-18-11-28-12-19(18)25-21(27)9-13-4-3-7-16(13)24-25/h1-2,5-6,9-10,18-19,22H,3-4,7-8,11-12H2,(H,23,26)
InChIKeySWEMKMKAPLBUPL-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.51
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide

2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide (PubChem CID 126939195) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
PubChem CID126939195
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1COCC1n1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H22N4O3/c26-20(8-14-10-22-17-6-2-1-5-15(14)17)23-18-11-28-12-19(18)25-21(27)9-13-4-3-7-16(13)24-25/h1-2,5-6,9-10,18-19,22H,3-4,7-8,11-12H2,(H,23,26)
InChIKeySWEMKMKAPLBUPL-UHFFFAOYSA-N
XLogP1.51
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280202
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939567
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939321
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939579
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide (CID 126939195) is 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide is O=C(Cc1c[nH]c2ccccc12)NC1COCC1n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide?
The InChIKey is SWEMKMKAPLBUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(8-14-10-22-17-6-2-1-5-15(14)17)23-18-11-28-12-19(18)25-21(27)9-13-4-3-7-16(13)24-25/h1-2,5-6,9-10,18-19,22H,3-4,7-8,11-12H2,(H,23,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide?
2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126939195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).