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

C20H17FN6O — CID 169196011

IUPACN-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCc1c(F)c(C2=CCCC2)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1
InChIInChI=1S/C20H17FN6O/c1-11-17(14-8-27-9-15(23-10-28)25-16(27)7-22-14)13-6-24-26-20(13)18(19(11)21)12-4-2-3-5-12/h4,6-10H,2-3,5H2,1H3,(H,23,28)(H,24,26)
InChIKeyCZOUZKBRTJGDLW-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.86
Rot. Bonds4

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

N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 169196011) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID169196011
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCc1c(F)c(C2=CCCC2)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1
InChIInChI=1S/C20H17FN6O/c1-11-17(14-8-27-9-15(23-10-28)25-16(27)7-22-14)13-6-24-26-20(13)18(19(11)21)12-4-2-3-5-12/h4,6-10H,2-3,5H2,1H3,(H,23,28)(H,24,26)
InChIKeyCZOUZKBRTJGDLW-UHFFFAOYSA-N
XLogP3.86
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 169196011) is N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is Cc1c(F)c(C2=CCCC2)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1.
What is the InChIKey of N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is CZOUZKBRTJGDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-11-17(14-8-27-9-15(23-10-28)25-16(27)7-22-14)13-6-24-26-20(13)18(19(11)21)12-4-2-3-5-12/h4,6-10H,2-3,5H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 376.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-(cyclopenten-1-yl)-6-fluoro-5-methyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 169196011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).