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

C27H29N5O3 — CID 71502964

IUPAC1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea
SMILESO=C(NCc1ccc(=O)[nH]c1)Nc1ccc(-n2cc(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C27H29N5O3/c33-26-10-5-20(17-28-26)18-29-27(34)30-22-6-8-23(9-7-22)32-19-21(24-3-1-2-4-25(24)32)11-12-31-13-15-35-16-14-31/h1-10,17,19H,11-16,18H2,(H,28,33)(H2,29,30,34)
InChIKeyFGYNQSWXAGZTNW-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.52
Rot. Bonds7

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

1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea (PubChem CID 71502964) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea
PubChem CID71502964
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea
SMILESO=C(NCc1ccc(=O)[nH]c1)Nc1ccc(-n2cc(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C27H29N5O3/c33-26-10-5-20(17-28-26)18-29-27(34)30-22-6-8-23(9-7-22)32-19-21(24-3-1-2-4-25(24)32)11-12-31-13-15-35-16-14-31/h1-10,17,19H,11-16,18H2,(H,28,33)(H2,29,30,34)
InChIKeyFGYNQSWXAGZTNW-UHFFFAOYSA-N
XLogP3.52
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea?
The IUPAC name of 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea (CID 71502964) is 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea is O=C(NCc1ccc(=O)[nH]c1)Nc1ccc(-n2cc(CCN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea?
The InChIKey is FGYNQSWXAGZTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c33-26-10-5-20(17-28-26)18-29-27(34)30-22-6-8-23(9-7-22)32-19-21(24-3-1-2-4-25(24)32)11-12-31-13-15-35-16-14-31/h1-10,17,19H,11-16,18H2,(H,28,33)(H2,29,30,34).
What are the key properties of 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea?
1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea has a molecular weight of 471.56 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]-3-[(6-oxo-1H-pyridin-3-yl)methyl]urea is sourced from PubChem (CID 71502964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).