1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea

C28H31N5O2 — CID 71165107

IUPAC1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(-n3cc(CCN4CCOCC4)c4ccccc43)cc2)cn1
InChIInChI=1S/C28H31N5O2/c1-21-6-7-22(18-29-21)19-30-28(34)31-24-8-10-25(11-9-24)33-20-23(26-4-2-3-5-27(26)33)12-13-32-14-16-35-17-15-32/h2-11,18,20H,12-17,19H2,1H3,(H2,30,31,34)
InChIKeyVNOCDTPSVDLJAY-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.53
Rot. Bonds7

About 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea

1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea (PubChem CID 71165107) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea
PubChem CID71165107
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(-n3cc(CCN4CCOCC4)c4ccccc43)cc2)cn1
InChIInChI=1S/C28H31N5O2/c1-21-6-7-22(18-29-21)19-30-28(34)31-24-8-10-25(11-9-24)33-20-23(26-4-2-3-5-27(26)33)12-13-32-14-16-35-17-15-32/h2-11,18,20H,12-17,19H2,1H3,(H2,30,31,34)
InChIKeyVNOCDTPSVDLJAY-UHFFFAOYSA-N
XLogP4.53
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea
CID 71502964
1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 118772871
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4048962
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
1-(pyridin-3-ylmethyl)-3-[4-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]phenyl]urea
CID 71165061
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
CID 117082923
1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide
CID 71502499
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid
CID 25106081

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea (CID 71165107) is 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea is Cc1ccc(CNC(=O)Nc2ccc(-n3cc(CCN4CCOCC4)c4ccccc43)cc2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea?
The InChIKey is VNOCDTPSVDLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-21-6-7-22(18-29-21)19-30-28(34)31-24-8-10-25(11-9-24)33-20-23(26-4-2-3-5-27(26)33)12-13-32-14-16-35-17-15-32/h2-11,18,20H,12-17,19H2,1H3,(H2,30,31,34).
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea?
1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea has a molecular weight of 469.59 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea is sourced from PubChem (CID 71165107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).