4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide

C19H18N4O2S — CID 20892920

IUPAC4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccs1
InChIInChI=1S/C19H18N4O2S/c24-17(20-11-13-5-4-10-26-13)8-3-9-23-16-7-2-1-6-14(16)15-12-21-22-19(25)18(15)23/h1-2,4-7,10,12H,3,8-9,11H2,(H,20,24)(H,22,25)
InChIKeyBJZDZZHJWCMEGI-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.04
Rot. Bonds6

About 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide

4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 20892920) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID20892920
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccs1
InChIInChI=1S/C19H18N4O2S/c24-17(20-11-13-5-4-10-26-13)8-3-9-23-16-7-2-1-6-14(16)15-12-21-22-19(25)18(15)23/h1-2,4-7,10,12H,3,8-9,11H2,(H,20,24)(H,22,25)
InChIKeyBJZDZZHJWCMEGI-UHFFFAOYSA-N
XLogP3.04
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 20892895
N-[(2-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892914
N-[3-(4-methylpiperazin-1-yl)propyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892927
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915
4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20877655
5-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50763304
5-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 27371272
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 32753667
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052
5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50742864

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 20892920) is 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccs1.
What is the InChIKey of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is BJZDZZHJWCMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17(20-11-13-5-4-10-26-13)8-3-9-23-16-7-2-1-6-14(16)15-12-21-22-19(25)18(15)23/h1-2,4-7,10,12H,3,8-9,11H2,(H,20,24)(H,22,25).
What are the key properties of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 366.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 20892920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).