1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C27H34N6O2 — CID 123825111

IUPAC1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCC1CCCC(C)N1c1nnc2ccc(OC3CCC(NC(=O)NC4CC4)c4ccccc43)cn12
InChIInChI=1S/C27H34N6O2/c1-17-6-5-7-18(2)33(17)27-31-30-25-15-12-20(16-32(25)27)35-24-14-13-23(21-8-3-4-9-22(21)24)29-26(34)28-19-10-11-19/h3-4,8-9,12,15-19,23-24H,5-7,10-11,13-14H2,1-2H3,(H2,28,29,34)
InChIKeyHFCQVVYZAFRJGW-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.91
Rot. Bonds5

About 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 123825111) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID123825111
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCC1CCCC(C)N1c1nnc2ccc(OC3CCC(NC(=O)NC4CC4)c4ccccc43)cn12
InChIInChI=1S/C27H34N6O2/c1-17-6-5-7-18(2)33(17)27-31-30-25-15-12-20(16-32(25)27)35-24-14-13-23(21-8-3-4-9-22(21)24)29-26(34)28-19-10-11-19/h3-4,8-9,12,15-19,23-24H,5-7,10-11,13-14H2,1-2H3,(H2,28,29,34)
InChIKeyHFCQVVYZAFRJGW-UHFFFAOYSA-N
XLogP4.91
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 123825111) is 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea is CC1CCCC(C)N1c1nnc2ccc(OC3CCC(NC(=O)NC4CC4)c4ccccc43)cn12.
What is the InChIKey of 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is HFCQVVYZAFRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-17-6-5-7-18(2)33(17)27-31-30-25-15-12-20(16-32(25)27)35-24-14-13-23(21-8-3-4-9-22(21)24)29-26(34)28-19-10-11-19/h3-4,8-9,12,15-19,23-24H,5-7,10-11,13-14H2,1-2H3,(H2,28,29,34).
What are the key properties of 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 474.61 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 123825111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).