N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane

C19H22FN7O — CID 163220775

IUPACN-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane
SMILESCC.CCc1c(F)c(CN)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1
InChIInChI=1S/C17H16FN7O.C2H6/c1-2-9-15(11-4-22-24-17(11)10(3-19)16(9)18)12-6-25-7-13(21-8-26)23-14(25)5-20-12;1-2/h4-8H,2-3,19H2,1H3,(H,21,26)(H,22,24);1-2H3
InChIKeyBRWFKCNFAJNEKA-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.03
Rot. Bonds5

About N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane

N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane (PubChem CID 163220775) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane.

Molecular Properties

Compound NameN-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane
PubChem CID163220775
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane
SMILESCC.CCc1c(F)c(CN)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1
InChIInChI=1S/C17H16FN7O.C2H6/c1-2-9-15(11-4-22-24-17(11)10(3-19)16(9)18)12-6-25-7-13(21-8-26)23-14(25)5-20-12;1-2/h4-8H,2-3,19H2,1H3,(H,21,26)(H,22,24);1-2H3
InChIKeyBRWFKCNFAJNEKA-UHFFFAOYSA-N
XLogP3.03
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.03
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-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane?
The IUPAC name of N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane (CID 163220775) is N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane.
What is the SMILES notation for N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane?
The canonical SMILES for N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane is CC.CCc1c(F)c(CN)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1.
What is the InChIKey of N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane?
The InChIKey is BRWFKCNFAJNEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O.C2H6/c1-2-9-15(11-4-22-24-17(11)10(3-19)16(9)18)12-6-25-7-13(21-8-26)23-14(25)5-20-12;1-2/h4-8H,2-3,19H2,1H3,(H,21,26)(H,22,24);1-2H3.
What are the key properties of N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane?
N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane has a molecular weight of 383.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(aminomethyl)-5-ethyl-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;ethane is sourced from PubChem (CID 163220775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).