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

C18H14ClFN6O2 — CID 163220648

IUPACN-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(C)C(=O)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C18H14ClFN6O2/c1-8(2)18(28)14-16(20)15(19)13(9-3-23-25-17(9)14)10-5-26-6-11(22-7-27)24-12(26)4-21-10/h3-8H,1-2H3,(H,22,27)(H,23,25)
InChIKeyYYUOPPCVPNDYQI-UHFFFAOYSA-N
MW400.80 g/mol
LogP3.47
Rot. Bonds5

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

N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 163220648) has the molecular formula C18H14ClFN6O2 and a molecular weight of 400.80 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID163220648
Molecular FormulaC18H14ClFN6O2
Molecular Weight400.80 g/mol
Exact Mass400.09
IUPAC NameN-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESCC(C)C(=O)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C18H14ClFN6O2/c1-8(2)18(28)14-16(20)15(19)13(9-3-23-25-17(9)14)10-5-26-6-11(22-7-27)24-12(26)4-21-10/h3-8H,1-2H3,(H,22,27)(H,23,25)
InChIKeyYYUOPPCVPNDYQI-UHFFFAOYSA-N
XLogP3.47
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
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-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 163220648) is N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is CC(C)C(=O)c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is YYUOPPCVPNDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O2/c1-8(2)18(28)14-16(20)15(19)13(9-3-23-25-17(9)14)10-5-26-6-11(22-7-27)24-12(26)4-21-10/h3-8H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 400.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 163220648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).