N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

C17H14F3N7O — CID 169196200

IUPACN-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(N)c1c(F)c(C(F)F)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C17H14F3N7O/c1-7(21)12-15(18)14(17(19)20)13(8-2-24-26-16(8)12)9-4-27-5-10(23-6-28)25-11(27)3-22-9/h2-7,17H,21H2,1H3,(H,23,28)(H,24,26)
InChIKeyOCIFYLAIPSEERN-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.94
Rot. Bonds5

About N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 169196200) has the molecular formula C17H14F3N7O and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID169196200
Molecular FormulaC17H14F3N7O
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC NameN-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(N)c1c(F)c(C(F)F)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C17H14F3N7O/c1-7(21)12-15(18)14(17(19)20)13(8-2-24-26-16(8)12)9-4-27-5-10(23-6-28)25-11(27)3-22-9/h2-7,17H,21H2,1H3,(H,23,28)(H,24,26)
InChIKeyOCIFYLAIPSEERN-UHFFFAOYSA-N
XLogP2.94
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 169196200) is N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is CC(N)c1c(F)c(C(F)F)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12.
What is the InChIKey of N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is OCIFYLAIPSEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O/c1-7(21)12-15(18)14(17(19)20)13(8-2-24-26-16(8)12)9-4-27-5-10(23-6-28)25-11(27)3-22-9/h2-7,17H,21H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 389.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(1-aminoethyl)-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 169196200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).