3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C20H24N4O — CID 18447481

IUPAC3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCc1c(OC2CCCC(NCc3cccnc3)C2)ccc2[nH]ncc12
InChIInChI=1S/C20H24N4O/c1-14-18-13-23-24-19(18)7-8-20(14)25-17-6-2-5-16(10-17)22-12-15-4-3-9-21-11-15/h3-4,7-9,11,13,16-17,22H,2,5-6,10,12H2,1H3,(H,23,24)
InChIKeyJTWDTBOZPQCLPA-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds5

About 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 18447481) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID18447481
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCc1c(OC2CCCC(NCc3cccnc3)C2)ccc2[nH]ncc12
InChIInChI=1S/C20H24N4O/c1-14-18-13-23-24-19(18)7-8-20(14)25-17-6-2-5-16(10-17)22-12-15-4-3-9-21-11-15/h3-4,7-9,11,13,16-17,22H,2,5-6,10,12H2,1H3,(H,23,24)
InChIKeyJTWDTBOZPQCLPA-UHFFFAOYSA-N
XLogP3.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 18447481) is 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is Cc1c(OC2CCCC(NCc3cccnc3)C2)ccc2[nH]ncc12.
What is the InChIKey of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is JTWDTBOZPQCLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-18-13-23-24-19(18)7-8-20(14)25-17-6-2-5-16(10-17)22-12-15-4-3-9-21-11-15/h3-4,7-9,11,13,16-17,22H,2,5-6,10,12H2,1H3,(H,23,24).
What are the key properties of 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 336.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1H-indazol-5-yl)oxy]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 18447481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).