N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine

C22H17F4N3 — CID 59514098

IUPACN,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine
SMILESCn1ncc2cc(N(Cc3c(F)cccc3F)Cc3c(F)cccc3F)ccc21
InChIInChI=1S/C22H17F4N3/c1-28-22-9-8-15(10-14(22)11-27-28)29(12-16-18(23)4-2-5-19(16)24)13-17-20(25)6-3-7-21(17)26/h2-11H,12-13H2,1H3
InChIKeyHPMGCHSBFVJVJY-UHFFFAOYSA-N
MW399.39 g/mol
LogP5.34
Rot. Bonds5

About N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine

N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine (PubChem CID 59514098) has the molecular formula C22H17F4N3 and a molecular weight of 399.39 g/mol. Its IUPAC name is N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine.

Molecular Properties

Compound NameN,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine
PubChem CID59514098
Molecular FormulaC22H17F4N3
Molecular Weight399.39 g/mol
Exact Mass399.14
IUPAC NameN,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine
SMILESCn1ncc2cc(N(Cc3c(F)cccc3F)Cc3c(F)cccc3F)ccc21
InChIInChI=1S/C22H17F4N3/c1-28-22-9-8-15(10-14(22)11-27-28)29(12-16-18(23)4-2-5-19(16)24)13-17-20(25)6-3-7-21(17)26/h2-11H,12-13H2,1H3
InChIKeyHPMGCHSBFVJVJY-UHFFFAOYSA-N
XLogP5.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine?
The IUPAC name of N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine (CID 59514098) is N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine.
What is the SMILES notation for N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine?
The canonical SMILES for N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine is Cn1ncc2cc(N(Cc3c(F)cccc3F)Cc3c(F)cccc3F)ccc21.
What is the InChIKey of N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine?
The InChIKey is HPMGCHSBFVJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3/c1-28-22-9-8-15(10-14(22)11-27-28)29(12-16-18(23)4-2-5-19(16)24)13-17-20(25)6-3-7-21(17)26/h2-11H,12-13H2,1H3.
What are the key properties of N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine?
N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine has a molecular weight of 399.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,6-difluorophenyl)methyl]-1-methylindazol-5-amine is sourced from PubChem (CID 59514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).