N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide

C16H17IN4O2 — CID 69201485

IUPACN-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)Cc1c-2n[nH]c1I
InChIInChI=1S/C16H17IN4O2/c17-16-13-8-10-7-11(1-2-12(10)15(13)19-20-16)18-14(22)9-21-3-5-23-6-4-21/h1-2,7H,3-6,8-9H2,(H,18,22)(H,19,20)
InChIKeyPZCILEWYOBWWDE-UHFFFAOYSA-N
MW424.24 g/mol
LogP1.86
Rot. Bonds3

About N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide

N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide (PubChem CID 69201485) has the molecular formula C16H17IN4O2 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide
PubChem CID69201485
Molecular FormulaC16H17IN4O2
Molecular Weight424.24 g/mol
Exact Mass424.04
IUPAC NameN-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)Cc1c-2n[nH]c1I
InChIInChI=1S/C16H17IN4O2/c17-16-13-8-10-7-11(1-2-12(10)15(13)19-20-16)18-14(22)9-21-3-5-23-6-4-21/h1-2,7H,3-6,8-9H2,(H,18,22)(H,19,20)
InChIKeyPZCILEWYOBWWDE-UHFFFAOYSA-N
XLogP1.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
2-piperidin-1-yl-N-[7-[(2-piperidin-1-ylacetyl)amino]-9H-fluoren-2-yl]acetamide
CID 14072226
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide
CID 59319345
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide (CID 69201485) is N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc2c(c1)Cc1c-2n[nH]c1I.
What is the InChIKey of N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide?
The InChIKey is PZCILEWYOBWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN4O2/c17-16-13-8-10-7-11(1-2-12(10)15(13)19-20-16)18-14(22)9-21-3-5-23-6-4-21/h1-2,7H,3-6,8-9H2,(H,18,22)(H,19,20).
What are the key properties of N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide?
N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide has a molecular weight of 424.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 69201485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).