N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide

C18H15ClFN7O2 — CID 169196044

IUPACN-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(OC4CNC4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C18H15ClFN7O2/c1-8(28)24-12-7-27-6-11(22-5-13(27)25-12)14-10-4-23-26-17(10)18(16(20)15(14)19)29-9-2-21-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,26)(H,24,28)
InChIKeyNIRUCMIIBAHMHE-UHFFFAOYSA-N
MW415.82 g/mol
LogP2.37
Rot. Bonds4

About N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide

N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 169196044) has the molecular formula C18H15ClFN7O2 and a molecular weight of 415.82 g/mol. Its IUPAC name is N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID169196044
Molecular FormulaC18H15ClFN7O2
Molecular Weight415.82 g/mol
Exact Mass415.10
IUPAC NameN-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(OC4CNC4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C18H15ClFN7O2/c1-8(28)24-12-7-27-6-11(22-5-13(27)25-12)14-10-4-23-26-17(10)18(16(20)15(14)19)29-9-2-21-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,26)(H,24,28)
InChIKeyNIRUCMIIBAHMHE-UHFFFAOYSA-N
XLogP2.37
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide (CID 169196044) is N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide is CC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(OC4CNC4)c4[nH]ncc34)ncc2n1.
What is the InChIKey of N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is NIRUCMIIBAHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN7O2/c1-8(28)24-12-7-27-6-11(22-5-13(27)25-12)14-10-4-23-26-17(10)18(16(20)15(14)19)29-9-2-21-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide?
N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 415.82 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 169196044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).