1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea

C24H24N4O2 — CID 149198875

IUPAC1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)NC1CC1
InChIInChI=1S/C24H24N4O2/c29-20-8-4-7-19-22(20)18(13-15-5-2-1-3-6-15)23(27-19)16-11-12-25-21(14-16)28-24(30)26-17-9-10-17/h1-3,5-6,11-12,14,17,27H,4,7-10,13H2,(H2,25,26,28,30)
InChIKeyXEHIAQKCOSQYHS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea

1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea (PubChem CID 149198875) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
PubChem CID149198875
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)NC1CC1
InChIInChI=1S/C24H24N4O2/c29-20-8-4-7-19-22(20)18(13-15-5-2-1-3-6-15)23(27-19)16-11-12-25-21(14-16)28-24(30)26-17-9-10-17/h1-3,5-6,11-12,14,17,27H,4,7-10,13H2,(H2,25,26,28,30)
InChIKeyXEHIAQKCOSQYHS-UHFFFAOYSA-N
XLogP4.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea with MolForge

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Related Compounds

1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopentylthiourea
CID 160873071
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea
CID 157400264
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
CID 159970460
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-triazole-4-carboxamide
CID 158370591
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide
CID 161137170
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
CID 162012236
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
N-[4-[3-benzyl-6-(dimethylsulfamoyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 161145489
N-[4-[(4aR,5aR)-3-benzyl-4-oxo-4a,5,5a,6-tetrahydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 148512859
N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 157254831

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea (CID 149198875) is 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea is O=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)NC1CC1.
What is the InChIKey of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is XEHIAQKCOSQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-20-8-4-7-19-22(20)18(13-15-5-2-1-3-6-15)23(27-19)16-11-12-25-21(14-16)28-24(30)26-17-9-10-17/h1-3,5-6,11-12,14,17,27H,4,7-10,13H2,(H2,25,26,28,30).
What are the key properties of 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 400.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 149198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).