2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide

C19H21FN6O — CID 118609682

IUPAC2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C)C4)cc3F)ncc2n1
InChIInChI=1S/C19H21FN6O/c1-12-9-25(6-5-21-12)14-3-4-15(16(20)7-14)19(27)24-17-11-26-10-13(2)23-18(26)8-22-17/h3-4,7-8,10-12,21H,5-6,9H2,1-2H3,(H,24,27)/t12-/m1/s1
InChIKeyIEEIXDPCJFPOBG-GFCCVEGCSA-N
MW368.42 g/mol
LogP2.23
Rot. Bonds3

About 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide

2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide (PubChem CID 118609682) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide
PubChem CID118609682
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C)C4)cc3F)ncc2n1
InChIInChI=1S/C19H21FN6O/c1-12-9-25(6-5-21-12)14-3-4-15(16(20)7-14)19(27)24-17-11-26-10-13(2)23-18(26)8-22-17/h3-4,7-8,10-12,21H,5-6,9H2,1-2H3,(H,24,27)/t12-/m1/s1
InChIKeyIEEIXDPCJFPOBG-GFCCVEGCSA-N
XLogP2.23
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide (CID 118609682) is 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C)C4)cc3F)ncc2n1.
What is the InChIKey of 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide?
The InChIKey is IEEIXDPCJFPOBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-12-9-25(6-5-21-12)14-3-4-15(16(20)7-14)19(27)24-17-11-26-10-13(2)23-18(26)8-22-17/h3-4,7-8,10-12,21H,5-6,9H2,1-2H3,(H,24,27)/t12-/m1/s1.
What are the key properties of 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide?
2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide has a molecular weight of 368.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-[(3R)-3-methylpiperazin-1-yl]benzamide is sourced from PubChem (CID 118609682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).