N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C19H23N7O — CID 119121329

IUPACN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CC(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7O/c20-18(24-10-12-25(13-11-24)19-21-7-3-8-22-19)23-14-17(27)26-9-6-15-4-1-2-5-16(15)26/h1-5,7-8H,6,9-14H2,(H2,20,23)
InChIKeyWJOHOGAEXFYNKU-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.50
Rot. Bonds3

About N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119121329) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119121329
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CC(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H23N7O/c20-18(24-10-12-25(13-11-24)19-21-7-3-8-22-19)23-14-17(27)26-9-6-15-4-1-2-5-16(15)26/h1-5,7-8H,6,9-14H2,(H2,20,23)
InChIKeyWJOHOGAEXFYNKU-UHFFFAOYSA-N
XLogP0.50
TPSA90.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
N'-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111811028
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]thiomorpholine-4-carboximidamide
CID 111810992
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N-propan-2-ylacetamide
CID 119117614
tert-butyl 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]acetate;hydroiodide
CID 119146782
1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
CID 110389221
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119121329) is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\CC(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is WJOHOGAEXFYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-18(24-10-12-25(13-11-24)19-21-7-3-8-22-19)23-14-17(27)26-9-6-15-4-1-2-5-16(15)26/h1-5,7-8H,6,9-14H2,(H2,20,23).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 365.44 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119121329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).