1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea

C26H31N7O2 — CID 70844666

IUPAC1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea
SMILESCCOC1C=c2c(c(-c3nn[nH]n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n2C2CCC2)=CC1
InChIInChI=1S/C26H31N7O2/c1-2-35-20-13-14-21-22(15-20)33(19-7-4-8-19)24(23(21)25-29-31-32-30-25)16-9-11-18(12-10-16)28-26(34)27-17-5-3-6-17/h9-12,14-15,17,19-20H,2-8,13H2,1H3,(H2,27,28,34)(H,29,30,31,32)
InChIKeyQZBHRPALOVSYEJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.10
Rot. Bonds7

About 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea

1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea (PubChem CID 70844666) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea
PubChem CID70844666
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea
SMILESCCOC1C=c2c(c(-c3nn[nH]n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n2C2CCC2)=CC1
InChIInChI=1S/C26H31N7O2/c1-2-35-20-13-14-21-22(15-20)33(19-7-4-8-19)24(23(21)25-29-31-32-30-25)16-9-11-18(12-10-16)28-26(34)27-17-5-3-6-17/h9-12,14-15,17,19-20H,2-8,13H2,1H3,(H2,27,28,34)(H,29,30,31,32)
InChIKeyQZBHRPALOVSYEJ-UHFFFAOYSA-N
XLogP3.10
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71730152
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-4,5-dihydro-1H-pyrazol-3-yl)indol-2-yl]phenyl]urea
CID 70844101
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1H-pyrazol-5-yl)indol-2-yl]phenyl]urea
CID 59426317
1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]urea
CID 59425780
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea
CID 59430547
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]urea
CID 59425082
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
ethanimidoyl 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboximidate
CID 91436088
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1H-pyrazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 59426086
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea (CID 70844666) is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea is CCOC1C=c2c(c(-c3nn[nH]n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n2C2CCC2)=CC1.
What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea?
The InChIKey is QZBHRPALOVSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-2-35-20-13-14-21-22(15-20)33(19-7-4-8-19)24(23(21)25-29-31-32-30-25)16-9-11-18(12-10-16)28-26(34)27-17-5-3-6-17/h9-12,14-15,17,19-20H,2-8,13H2,1H3,(H2,27,28,34)(H,29,30,31,32).
What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea?
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea has a molecular weight of 473.58 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(2H-tetrazol-5-yl)-5,6-dihydroindol-2-yl]phenyl]urea is sourced from PubChem (CID 70844666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).