[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine

C21H18F2N4O — CID 122516224

IUPAC[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1nn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12
InChIInChI=1S/C21H18F2N4O/c1-13-21-18(27(26-13)12-15-5-6-16(22)10-17(15)23)3-2-4-19(21)28-20-9-14(11-24)7-8-25-20/h2-10H,11-12,24H2,1H3
InChIKeyWPRCLEBGYAUMRK-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.32
Rot. Bonds5

About [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine

[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516224) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516224
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1nn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12
InChIInChI=1S/C21H18F2N4O/c1-13-21-18(27(26-13)12-15-5-6-16(22)10-17(15)23)3-2-4-19(21)28-20-9-14(11-24)7-8-25-20/h2-10H,11-12,24H2,1H3
InChIKeyWPRCLEBGYAUMRK-UHFFFAOYSA-N
XLogP4.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516224) is [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine is Cc1nn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12.
What is the InChIKey of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is WPRCLEBGYAUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-13-21-18(27(26-13)12-15-5-6-16(22)10-17(15)23)3-2-4-19(21)28-20-9-14(11-24)7-8-25-20/h2-10H,11-12,24H2,1H3.
What are the key properties of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 380.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindazol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).