1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea

C19H26N6O2 — CID 126436507

IUPAC1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
SMILESCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc2c(c1)cc(C)n2CCOC
InChIInChI=1S/C19H26N6O2/c1-5-25-18(20-12-21-25)14(3)22-19(26)23-16-6-7-17-15(11-16)10-13(2)24(17)8-9-27-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyFCRXFIPKOVGKAM-CQSZACIVSA-N
MW370.46 g/mol
LogP3.09
Rot. Bonds7

About 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea

1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea (PubChem CID 126436507) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
PubChem CID126436507
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
SMILESCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc2c(c1)cc(C)n2CCOC
InChIInChI=1S/C19H26N6O2/c1-5-25-18(20-12-21-25)14(3)22-19(26)23-16-6-7-17-15(11-16)10-13(2)24(17)8-9-27-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyFCRXFIPKOVGKAM-CQSZACIVSA-N
XLogP3.09
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea (CID 126436507) is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The canonical SMILES for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea is CCn1ncnc1[C@@H](C)NC(=O)Nc1ccc2c(c1)cc(C)n2CCOC.
What is the InChIKey of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The InChIKey is FCRXFIPKOVGKAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-5-25-18(20-12-21-25)14(3)22-19(26)23-16-6-7-17-15(11-16)10-13(2)24(17)8-9-27-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea has a molecular weight of 370.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea is sourced from PubChem (CID 126436507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).