1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

C27H30N6O3 — CID 11271710

IUPAC1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C27H30N6O3/c1-18-3-2-4-21(17-18)30-27(34)29-20-7-5-19(6-8-20)22-9-10-23(25-24(22)26(28)32-31-25)36-16-13-33-11-14-35-15-12-33/h2-10,17H,11-16H2,1H3,(H3,28,31,32)(H2,29,30,34)
InChIKeyGRFMNFFXDFTYNV-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.48
Rot. Bonds7

About 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 11271710) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID11271710
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C27H30N6O3/c1-18-3-2-4-21(17-18)30-27(34)29-20-7-5-19(6-8-20)22-9-10-23(25-24(22)26(28)32-31-25)36-16-13-33-11-14-35-15-12-33/h2-10,17H,11-16H2,1H3,(H3,28,31,32)(H2,29,30,34)
InChIKeyGRFMNFFXDFTYNV-UHFFFAOYSA-N
XLogP4.48
TPSA117.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (CID 11271710) is 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is GRFMNFFXDFTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-18-3-2-4-21(17-18)30-27(34)29-20-7-5-19(6-8-20)22-9-10-23(25-24(22)26(28)32-31-25)36-16-13-33-11-14-35-15-12-33/h2-10,17H,11-16H2,1H3,(H3,28,31,32)(H2,29,30,34).
What are the key properties of 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 486.58 g/mol, XLogP of 4.48, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-(2-morpholin-4-ylethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11271710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).