3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea

C25H30N4O — CID 57110834

IUPAC3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea
SMILESCCN1C=CC(c2c[nH]c3ccc(NC(=O)N(c4ccccc4)C(C)C)cc23)CC1
InChIInChI=1S/C25H30N4O/c1-4-28-14-12-19(13-15-28)23-17-26-24-11-10-20(16-22(23)24)27-25(30)29(18(2)3)21-8-6-5-7-9-21/h5-12,14,16-19,26H,4,13,15H2,1-3H3,(H,27,30)
InChIKeyDBAYZKZJCGLDIM-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.94
Rot. Bonds5

About 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea

3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea (PubChem CID 57110834) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea
PubChem CID57110834
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea
SMILESCCN1C=CC(c2c[nH]c3ccc(NC(=O)N(c4ccccc4)C(C)C)cc23)CC1
InChIInChI=1S/C25H30N4O/c1-4-28-14-12-19(13-15-28)23-17-26-24-11-10-20(16-22(23)24)27-25(30)29(18(2)3)21-8-6-5-7-9-21/h5-12,14,16-19,26H,4,13,15H2,1-3H3,(H,27,30)
InChIKeyDBAYZKZJCGLDIM-UHFFFAOYSA-N
XLogP5.94
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
1-(3-phenylphenyl)-3-[3-(1-propyl-3,4-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 19601522
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
3-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-1-methyl-1-phenylurea
CID 22714401
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-butyl-1-phenylurea
CID 54394024
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
1-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-1,3-diphenylurea
CID 67669036

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea (CID 57110834) is 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea is CCN1C=CC(c2c[nH]c3ccc(NC(=O)N(c4ccccc4)C(C)C)cc23)CC1.
What is the InChIKey of 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea?
The InChIKey is DBAYZKZJCGLDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-4-28-14-12-19(13-15-28)23-17-26-24-11-10-20(16-22(23)24)27-25(30)29(18(2)3)21-8-6-5-7-9-21/h5-12,14,16-19,26H,4,13,15H2,1-3H3,(H,27,30).
What are the key properties of 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea?
3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea has a molecular weight of 402.54 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 57110834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).