1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea

C25H28N8O2 — CID 51134108

IUPAC1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C25H28N8O2/c34-25(26-20-3-1-2-19(17-20)24-28-29-30-33(24)22-5-6-22)27-21-4-7-23-18(16-21)8-9-32(23)11-10-31-12-14-35-15-13-31/h1-4,7-9,16-17,22H,5-6,10-15H2,(H2,26,27,34)
InChIKeyORDMJKCXEXRHMA-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.61
Rot. Bonds7

About 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea

1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (PubChem CID 51134108) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
PubChem CID51134108
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C25H28N8O2/c34-25(26-20-3-1-2-19(17-20)24-28-29-30-33(24)22-5-6-22)27-21-4-7-23-18(16-21)8-9-32(23)11-10-31-12-14-35-15-13-31/h1-4,7-9,16-17,22H,5-6,10-15H2,(H2,26,27,34)
InChIKeyORDMJKCXEXRHMA-UHFFFAOYSA-N
XLogP3.61
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]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

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
CID 56556621
5-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrazolidine-3-carboxamide
CID 75614179
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (CID 51134108) is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.
What is the SMILES notation for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The canonical SMILES for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)Nc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The InChIKey is ORDMJKCXEXRHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c34-25(26-20-3-1-2-19(17-20)24-28-29-30-33(24)22-5-6-22)27-21-4-7-23-18(16-21)8-9-32(23)11-10-31-12-14-35-15-13-31/h1-4,7-9,16-17,22H,5-6,10-15H2,(H2,26,27,34).
What are the key properties of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea has a molecular weight of 472.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is sourced from PubChem (CID 51134108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).