1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea

C22H26N4O — CID 131936362

IUPAC1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea
SMILESCCC(NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccc(C)n1
InChIInChI=1S/C22H26N4O/c1-3-19(21-6-4-5-15(2)24-21)25-22(27)26(18-8-9-18)14-16-7-10-20-17(13-16)11-12-23-20/h4-7,10-13,18-19,23H,3,8-9,14H2,1-2H3,(H,25,27)
InChIKeySVQMRDFFPTWTHW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.70
Rot. Bonds6

About 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea

1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea (PubChem CID 131936362) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea
PubChem CID131936362
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea
SMILESCCC(NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccc(C)n1
InChIInChI=1S/C22H26N4O/c1-3-19(21-6-4-5-15(2)24-21)25-22(27)26(18-8-9-18)14-16-7-10-20-17(13-16)11-12-23-20/h4-7,10-13,18-19,23H,3,8-9,14H2,1-2H3,(H,25,27)
InChIKeySVQMRDFFPTWTHW-UHFFFAOYSA-N
XLogP4.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea?
The IUPAC name of 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea (CID 131936362) is 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea is CCC(NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccc(C)n1.
What is the InChIKey of 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea?
The InChIKey is SVQMRDFFPTWTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-19(21-6-4-5-15(2)24-21)25-22(27)26(18-8-9-18)14-16-7-10-20-17(13-16)11-12-23-20/h4-7,10-13,18-19,23H,3,8-9,14H2,1-2H3,(H,25,27).
What are the key properties of 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea?
1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea has a molecular weight of 362.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1H-indol-5-ylmethyl)-3-[1-(6-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 131936362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).