N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine

C17H10F3N5 — CID 122589652

IUPACN-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
SMILESFc1ccc(-c2ncc(F)c(Nc3ccc4[nH]ncc4c3)n2)cc1F
InChIInChI=1S/C17H10F3N5/c18-12-3-1-9(6-13(12)19)16-21-8-14(20)17(24-16)23-11-2-4-15-10(5-11)7-22-25-15/h1-8H,(H,22,25)(H,21,23,24)
InChIKeyJAAKWWBDRAOYJY-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.18
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 122589652) has the molecular formula C17H10F3N5 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID122589652
Molecular FormulaC17H10F3N5
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC NameN-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
SMILESFc1ccc(-c2ncc(F)c(Nc3ccc4[nH]ncc4c3)n2)cc1F
InChIInChI=1S/C17H10F3N5/c18-12-3-1-9(6-13(12)19)16-21-8-14(20)17(24-16)23-11-2-4-15-10(5-11)7-22-25-15/h1-8H,(H,22,25)(H,21,23,24)
InChIKeyJAAKWWBDRAOYJY-UHFFFAOYSA-N
XLogP4.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine (CID 122589652) is N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine is Fc1ccc(-c2ncc(F)c(Nc3ccc4[nH]ncc4c3)n2)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is JAAKWWBDRAOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5/c18-12-3-1-9(6-13(12)19)16-21-8-14(20)17(24-16)23-11-2-4-15-10(5-11)7-22-25-15/h1-8H,(H,22,25)(H,21,23,24).
What are the key properties of N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 341.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 122589652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).