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

C19H20N4O2 — CID 122280202

IUPACN-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NCc1c[nH]c2ccccc12)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C19H20N4O2/c1-12(23-18(24)9-13-5-4-8-16(13)22-23)19(25)21-11-14-10-20-17-7-3-2-6-15(14)17/h2-3,6-7,9-10,12,20H,4-5,8,11H2,1H3,(H,21,25)
InChIKeyYQDSEHCXCHRQQO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.09
Rot. Bonds4

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

N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280202) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280202
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NCc1c[nH]c2ccccc12)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C19H20N4O2/c1-12(23-18(24)9-13-5-4-8-16(13)22-23)19(25)21-11-14-10-20-17-7-3-2-6-15(14)17/h2-3,6-7,9-10,12,20H,4-5,8,11H2,1H3,(H,21,25)
InChIKeyYQDSEHCXCHRQQO-UHFFFAOYSA-N
XLogP2.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280255
2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
CID 126939195
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 137067448
N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279941
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
3-amino-4-(1H-indol-3-ylmethylamino)-4-oxobutanoic acid
CID 115181305
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 46261613
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 40649871
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280132
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280202) is N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)NCc1c[nH]c2ccccc12)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is YQDSEHCXCHRQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(23-18(24)9-13-5-4-8-16(13)22-23)19(25)21-11-14-10-20-17-7-3-2-6-15(14)17/h2-3,6-7,9-10,12,20H,4-5,8,11H2,1H3,(H,21,25).
What are the key properties of N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).